Methyl 2,2,2-trichloroacetimidate

CAT: 0024-sc-228505Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-228505Size:25 g

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CAS Number

2533-69-9

Chemical Information

Methyl 2,2,2-trichloroacetimidate

CAS Number	2533-69-9
PubChem CID	100479
IUPAC Name	methyl 2,2,2-trichloroethanimidate
Molecular Formula	C3H4Cl3NO
Molecular Weight	176.42
XLogP	2.1
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	97

SMILES

COC(=N)C(Cl)(Cl)Cl

InChI

InChI=1S/C3H4Cl3NO/c1-8-2(7)3(4,5)6/h7H,1H3

InChIKey

OGBINJLTBZWRRB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2533-69-9

CID: 100479

Formula: C3H4Cl3NO

MW: 176.42

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.42
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	174.935847
Monoisotopic Mass	174.935847
Topological Polar Surface Area	33.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	97.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-252423	Benzyl 2,2,2-trichloroacetimidate
sc-234950	Ethyl 2,2,2-trichloroacetimidate
sc-253629	Tert-Butyl 2,2,2-trichloroacetimidate
sc-253208	O-Allyl 2,2,2-trichloroacetimidate
sc-252173	4-Methoxybenzyl-2,2,2-trichloroacetimidate
sc-283343A	2,3,4-Tri-O-benzoyl-a-D-glucuronide methyl ester trichloroacetimidate
sc-283343	2,3,4-Tri-O-benzoyl-a-D-glucuronide methyl ester trichloroacetimidate
sc-396021	2,3,4-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
sc-213971	2,3,4-Tri-O-benzoyl-α-D-glucuronic Acid Methyl Ester, Trichloroacetimidate
sc-220780A	2,3,4-Tri-O-acetyl-α-D-glucuronic Acid Methyl Ester, Trichloroacetimidate

Catalog	Name
FM140249-01	Methyl 2,2,2-trichloroacetimidate
OR59830-01	Methyl trichloroacetimidate
159066	(1S,2S,3S,4S,5R) -2,3,4-Tris (benzyloxy) -5- ((benzyloxy) methyl) cyclohexyl 2,2,2-Trichloroacetimidate
T8310-12	2,3,4-Tri-O-acetyl-a-D-glucuronic Acid Methyl Ester, Trichloroacetimidate (Methyl- (2,3,4-tri-O-acetyl-a-D-glucopyranosyl Trichloroacetimidate) uronate)
MBS6042258-01	2,3,4-Tri-O-acetyl-a-D-glucuronic Acid Methyl Ester, Trichloroacetimidate (Methyl-(2,3,4-tri-O-acetyl-a-D-glucopyranosyl Trichloroacetimidate)uronate)
T8340-12	2,3,4-Tri-O-benzoyl-a-D-glucuronic Acid Methyl Ester, Trichloroacetimidate (Methyl- (2,3,4-tri-O-benzoyl-a-D-glucopyranosyl Trichloroacetimidate) uronate)
MBS6082325-01	2,3,4-Tri-O-benzoyl-a-D-glucuronic Acid Methyl Ester, Trichloroacetimidate (Methyl-(2,3,4-tri-O-benzoyl-a-D-glucopyranosyl Trichloroacetimidate)uronate)
GC0455-2g	2,3,4-Tri-O-acetyl-α-D-glucuronide methyl ester trichloroacetimidate
JXB01854-01	Methyl 2-methyl-2- ((2,2,2-trifluoroethyl) amino) propanoate
abx186702-01	Methyl 2-methyl-2-phenylpropanoate