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81795-22-4 | Methanone, (4-amino-2-nitrophenyl)phenyl-
CAS No: 81795-22-4 Catalog No: AG005HUK MDL No:
Product Description
Catalog Number:
AG005HUK
Chemical Name:
Methanone, (4-amino-2-nitrophenyl)phenyl-
CAS Number:
81795-22-4
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
IUPAC Name:
(4-amino-2-nitrophenyl)-phenylmethanone
InChI:
InChI=1S/C13H10N2O3/c14-10-6-7-11(12(8-10)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H,14H2
InChI Key:
JKFPSKHVSXZCOL-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)[N+](=O)[O-])C(=O)c1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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