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Home > Nitro Compounds > 174769-06-3
174769-06-3 | 1H-1-Benzazepine-2,5-dione, 3-hydroxy-6,8-dimethyl-7-nitro-
CAS No: 174769-06-3 Catalog No: AG001ZX7 MDL No:
Product Description
Catalog Number:
AG001ZX7
Chemical Name:
1H-1-Benzazepine-2,5-dione, 3-hydroxy-6,8-dimethyl-7-nitro-
CAS Number:
174769-06-3
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
IUPAC Name:
5-hydroxy-6,8-dimethyl-7-nitro-1H-1-benzazepine-2,3-dione
InChI:
InChI=1S/C12H10N2O5/c1-5-3-7-10(6(2)11(5)14(18)19)8(15)4-9(16)12(17)13-7/h3-4,15H,1-2H3,(H,13,16,17)
InChI Key:
VGACPRNMMDOKKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cc2c(c1C)c(=O)cc(c(=O)[nH]2)O
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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