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78426-48-9 | Carbamic acid, chloromethoxy-, methyl ester
CAS No: 78426-48-9 Catalog No: AG0053J2 MDL No:
Product Description
Catalog Number:
AG0053J2
Chemical Name:
Carbamic acid, chloromethoxy-, methyl ester
CAS Number:
78426-48-9
Molecular Formula:
C3H6ClNO3
Molecular Weight:
139.5376
IUPAC Name:
methyl N-(chloromethoxy)carbamate
InChI:
InChI=1S/C3H6ClNO3/c1-7-3(6)5-8-2-4/h2H2,1H3,(H,5,6)
InChI Key:
DBHUPUMBOAFLNG-UHFFFAOYSA-N
SMILES:
COC(=O)NOCCl
Properties
Complexity:
76.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.004g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.535g/mol
Monoisotopic Mass:
139.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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