2,2,2-Trichloro-1-ethoxyethanol

CAT: 0926-AAA51583-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-AAA51583-01Size:10 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

515-83-3

MDL Number

MFCD00013668

Smiles

CCOC (C (Cl) (Cl) Cl) O

Molecular Formula

C4H7Cl3O2

Molecular Weight

193.45 g/mol

Controlled

Yes

Chemical Information

Chloral alcoholate

structure

CAS Number	515-83-3
PubChem CID	10587
IUPAC Name	2,2,2-trichloro-1-ethoxyethanol
Molecular Formula	C4H7Cl3O2
Molecular Weight	193.45
XLogP	1.8
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	80

SMILES

CCOC(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C4H7Cl3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3

InChIKey

DLHWKJDYXPNWAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 515-83-3

CID: 10587

Formula: C4H7Cl3O2

MW: 193.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.45
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	191.951163
Monoisotopic Mass	191.951163
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.4
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

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Catalog	Name
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