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14011-27-9 | Acetic acid, 2-chloro-2-nitro-, ethyl ester
CAS No: 14011-27-9 Catalog No: AG001C1O MDL No:MFCD00461980
Product Description
Catalog Number:
AG001C1O
Chemical Name:
Acetic acid, 2-chloro-2-nitro-, ethyl ester
CAS Number:
14011-27-9
Molecular Formula:
C4H6ClNO4
Molecular Weight:
167.5477
MDL Number:
MFCD00461980
IUPAC Name:
ethyl 2-chloro-2-nitroacetate
InChI:
InChI=1S/C4H6ClNO4/c1-2-10-4(7)3(5)6(8)9/h3H,2H2,1H3
InChI Key:
FITIJMZLRSVIRB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)OCC)Cl
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.545g/mol
Monoisotopic Mass:
166.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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