Home Halogens Methyl chloroacetate

Methyl chloroacetate

CAS No.:
96-34-4
Catalog Number:
AG0038IG
Molecular Formula:
C3H5ClO2
Molecular Weight:
108.5236
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Product Description
Catalog Number:
AG0038IG
Chemical Name:
Methyl chloroacetate
CAS Number:
96-34-4
Molecular Formula:
C3H5ClO2
Molecular Weight:
108.5236
MDL Number:
MFCD00000931
IUPAC Name:
methyl 2-chloroacetate
InChI:
InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
InChI Key:
QABLOFMHHSOFRJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCl
EC Number:
202-501-1
UNII:
450VSB182I
NSC Number:
2635
RTECS Number:
AF9500000
UN Number:
2295
Properties
Complexity:
52.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.998g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.521g/mol
Monoisotopic Mass:
107.998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
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[Hygienic standards of the occupational air quality established by the Experts on Chemical Agents, 2002]. Medycyna pracy 20040101
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Properties