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Chloromethyl Acetate

CAS No.:
625-56-9
Catalog Number:
AG00370U
Molecular Formula:
C3H5ClO2
Molecular Weight:
108.5236
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Product Description
Catalog Number:
AG00370U
Chemical Name:
Chloromethyl Acetate
CAS Number:
625-56-9
Molecular Formula:
C3H5ClO2
Molecular Weight:
108.5236
MDL Number:
MFCD00623643
IUPAC Name:
chloromethyl acetate
InChI:
InChI=1S/C3H5ClO2/c1-3(5)6-2-4/h2H2,1H3
InChI Key:
SMJYMSAPPGLBAR-UHFFFAOYSA-N
SMILES:
CC(=O)OCCl
EC Number:
210-902-8
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:
0.8  
Literature
Title Journal
Dimethyl 2,2'-({2,2'-methyl-enebis[6-(2H-benzotriazol-2-yl)-4-(2,4,4-trimethyl-pentan-2-yl)-2,1-phenyl-ene]}di-oxy)diacetate. Acta crystallographica. Section E, Structure reports online 20110301
Properties