Allyl chloroacetate

CAT: 0127-OR921089-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR921089-01Size:5 g

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CAS Number

2916-14-5

MDL Number

MFCD00058936

Purity

98%

Smiles

ClCC(=O)OCC=C

Chemical Information

Allyl chloroacetate

CAS Number	2916-14-5
PubChem CID	76206
IUPAC Name	prop-2-enyl 2-chloroacetate
Molecular Formula	C5H7ClO2
Molecular Weight	134.56
XLogP	1.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	90

SMILES

C=CCOC(=O)CCl

InChI

InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

InChIKey

VMBJJCDVORDOCF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2916-14-5

CID: 76206

Formula: C5H7ClO2

MW: 134.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.56
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	134.0134572
Monoisotopic Mass	134.0134572
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.4
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
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OR1078339-01	Tert-Butyl Chloroacetate
OR25298	Butyl 2-chloroacetate
BIB1424-01	Naphthol AS-D chloroacetate
OR940706	O-Trimethylsilyl chloroacetate
OR1052466	Phenethyl 2-chloroacetate