Benzyl chloroacetate

CAT: 0926-AAA14018Size: 100 gDry Ice: NoHazardous: No

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CAT#:0926-AAA14018Size:100 g

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CAS Number

140-18-1

MDL Number

MFCD00157062

Smiles

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

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 g/mol

Controlled

Chemical Information

Acetic acid, 2-chloro-, phenylmethyl ester

CAS Number	140-18-1
PubChem CID	8786
IUPAC Name	benzyl 2-chloroacetate
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	12
Formal Charge	0
Complexity	141

SMILES

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

InChI

InChI=1S/C9H9ClO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

SOGXBRHOWDEKQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140-18-1

CID: 8786

Formula: C9H9ClO2

MW: 184.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.62
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	184.0291072
Monoisotopic Mass	184.0291072
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141
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
FE23039-01	Ethyl chloroacetate
AAA10548	Isopropyl Chloroacetate
CAA91614	Allyl chloroacetate
QJA48799-01	Pentafluorophenyl 2-chloroacetate
GAA13523-01	Chloromethyl 2-chloroacetate
FN10874-01	Naphthol AS-D chloroacetate
VYB02042-01	4-Piperidinyl 2-chloroacetate hydrochloride
ZEA57393-01	Methyl 2- (4-bromophenyl) -2-chloroacetate
KCA94504-01	2- (2-Chloroacetamido) ethyl 2-chloroacetate
LDA51841-01	1-Methylpiperidin-3-yl 2-chloroacetate hydrochloride

Catalog	Name
OR920707-01	Benzyl chloroacetate
sc-337572	Benzyl 2-[2- (4-bromophenyl) hydrazono]-2-chloroacetate
166572	Sodium α-Chloroacetate
TRC-D552460-250MG	Dodecyl Chloroacetate
14918-12	Ethyl Chloroacetate
455874-01	Methyl Chloroacetate
TRC-S615200-1KG	Sodium a-Chloroacetate
sc-253827	Vinyl chloroacetate
sc-251015A	Sodium chloroacetate
sc-269274	Isopropyl chloroacetate