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127580-76-1 | Acetic acid, 2-chloro-2-nitro-
CAS No: 127580-76-1 Catalog No: AG000X6W MDL No:
Product Description
Catalog Number:
AG000X6W
Chemical Name:
Acetic acid, 2-chloro-2-nitro-
CAS Number:
127580-76-1
Molecular Formula:
C2H2ClNO4
Molecular Weight:
139.4946
IUPAC Name:
2-chloro-2-nitroacetic acid
InChI:
InChI=1S/C2H2ClNO4/c3-1(2(5)6)4(7)8/h1H,(H,5,6)
InChI Key:
DBKXEUJTXWWPCF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)O)Cl
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.967g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.491g/mol
Monoisotopic Mass:
138.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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