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Home > Nitro Compounds > 67746-60-5
67746-60-5 | Benzenesulfonic acid, 4-[[cyano(4-nitrophenyl)methyl]azo]-3-hydroxy-
CAS No: 67746-60-5 Catalog No: AG005Q9M MDL No:
Product Description
Catalog Number:
AG005Q9M
Chemical Name:
Benzenesulfonic acid, 4-[[cyano(4-nitrophenyl)methyl]azo]-3-hydroxy-
CAS Number:
67746-60-5
Molecular Formula:
C14H10N4O6S
Molecular Weight:
362.3174
IUPAC Name:
4-[[cyano-(4-nitrophenyl)methyl]diazenyl]-3-hydroxybenzenesulfonic acid
InChI:
InChI=1S/C14H10N4O6S/c15-8-13(9-1-3-10(4-2-9)18(20)21)17-16-12-6-5-11(7-14(12)19)25(22,23)24/h1-7,13,19H,(H,22,23,24)
InChI Key:
JVEBIMKCGCGUKM-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)[N+](=O)[O-])N=Nc1ccc(cc1O)S(=O)(=O)O
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.032g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
362.316g/mol
Monoisotopic Mass:
362.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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