Methyl 2-chloro-2- (3,4-dichlorophenyl) acetate

CAT: 0926-XZB16466-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XZB16466-01Size:100 mg

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CAS Number

1247164-66-4

MDL Number

MFCD16694228

Smiles

COC (=O) C (C1=CC (=C (C=C1) Cl) Cl) Cl

Molecular Formula

C9H7Cl3O2

Molecular Weight

253.5 g/mol

Controlled

Chemical Information

Methyl 2-chloro-2-(3,4-dichlorophenyl)acetate

CAS Number	1247164-66-4
PubChem CID	22336855
IUPAC Name	methyl 2-chloro-2-(3,4-dichlorophenyl)acetate
Molecular Formula	C9H7Cl3O2
Molecular Weight	253.5
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	210

SMILES

COC(=O)C(C1=CC(=C(C=C1)Cl)Cl)Cl

InChI

InChI=1S/C9H7Cl3O2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,1H3

InChIKey

DAAJZIHFRZPQLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247164-66-4

CID: 22336855

Formula: C9H7Cl3O2

MW: 253.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.5
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	251.951163
Monoisotopic Mass	251.951163
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AJA22569-01	Methyl 2-chloro-2- (2,4-dichlorophenyl) acetate
ZZB31221-01	Methyl 2-chloro-2- (2,3-dichlorophenyl) acetate
AAC89869-01	Methyl 2-chloro-2- (3,5-dichlorophenyl) acetate
IQB00856-01	Methyl 2-amino-2- (2,4-dichlorophenyl) acetate
NDA13526-01	Methyl 2- (4-amino-2,6-dichlorophenyl) acetate
WDA12966-01	Methyl 2- (2,5-dichlorophenyl) acetate
BAC92287-01	Methyl 2- (3,4-dichlorophenyl) -2- (methylamino) acetate hydrochloride
DWB11490-01	Methyl 2-[2- (2,4-dichlorophenyl) -N-methylacetamido]acetate
TEC61279-01	Methyl 2-chloro-2- (3-chloro-4-fluorophenyl) acetate
HHC67922-01	(4-Chloro-2-cyanophenyl) methyl acetate

Catalog	Name
OR340136	Methyl 2- (4-nitrophenyl) -2- (3,4-dichlorophenyl) acetate
sc-358296	Methyl 2-chloro-3- (2,4-dichlorophenyl) propanoate
sc-326205	Benzyl 2-chloro-2-[2- (3,4-dichlorophenyl) hydrazono]acetate
RG-M200859-01	Methyl 2-Amino-2- (2,4-Dichlorophenyl) Acetate
OR21043-01	2,4-Dichlorophenyl acetate
OR111649	Methyl 2- (2-chloro-3,4-dimethoxyphenyl) acetate
OR1076578-01	Methyl 2- (2,5-dichlorophenyl) acetate
OR95790-01	Methyl 2- (2,6-dichlorophenyl) acetate
OR1037384-01	Ethyl 2-chloro-2-[2- (2,4-dichlorophenyl) hydrazinylidene]acetate
OR1049566-01	Methyl 2-amino-2- (2,4-dichlorophenyl) acetate hydrochloride