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7477-10-3 | 6-Chloro-5-nitronicotinic acid
CAS No: 7477-10-3 Catalog No: AG00337M MDL No:MFCD09027297
Product Description
Catalog Number:
AG00337M
Chemical Name:
6-Chloro-5-nitronicotinic acid
CAS Number:
7477-10-3
Molecular Formula:
C6H3ClN2O4
Molecular Weight:
202.5520
MDL Number:
MFCD09027297
IUPAC Name:
6-chloro-5-nitropyridine-3-carboxylic acid
InChI:
InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)
InChI Key:
HCRHNMXCDNACMH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Cl)C(=O)O
NSC Number:
404695
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.978g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.55g/mol
Monoisotopic Mass:
201.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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