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Home > Nitro Compounds > 100923-75-9
100923-75-9 | Methanone, (4-hydroxy-2,6-dimethyl-3-nitrophenyl)phenyl-
CAS No: 100923-75-9 Catalog No: AG00037F MDL No:
Product Description
Catalog Number:
AG00037F
Chemical Name:
Methanone, (4-hydroxy-2,6-dimethyl-3-nitrophenyl)phenyl-
CAS Number:
100923-75-9
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
(4-hydroxy-2,6-dimethyl-3-nitrophenyl)-phenylmethanone
InChI:
InChI=1S/C15H13NO4/c1-9-8-12(17)14(16(19)20)10(2)13(9)15(18)11-6-4-3-5-7-11/h3-8,17H,1-2H3
InChI Key:
NERATDXBXWCAOK-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1C(=O)c1ccccc1)C)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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