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Home > Nitro Compounds > 136850-51-6
136850-51-6 | Benzamide, 2,4,6-trihydroxy-3-nitro-
CAS No: 136850-51-6 Catalog No: AG0012GP MDL No:
Product Description
Catalog Number:
AG0012GP
Chemical Name:
Benzamide, 2,4,6-trihydroxy-3-nitro-
CAS Number:
136850-51-6
Molecular Formula:
C7H6N2O6
Molecular Weight:
214.1323
IUPAC Name:
2,4,6-trihydroxy-3-nitrobenzamide
InChI:
InChI=1S/C7H6N2O6/c8-7(13)4-2(10)1-3(11)5(6(4)12)9(14)15/h1,10-12H,(H2,8,13)
InChI Key:
CEHJYEXLKQVWOT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)cc(c(c1O)C(=O)N)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
214.133g/mol
Monoisotopic Mass:
214.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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