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68271-77-2 | 4-CYANO-4'-NITROBENZOPHENONE
CAS No: 68271-77-2 Catalog No: AG005LHQ MDL No:MFCD03841021
Product Description
Catalog Number:
AG005LHQ
Chemical Name:
4-CYANO-4'-NITROBENZOPHENONE
CAS Number:
68271-77-2
Molecular Formula:
C14H8N2O3
Molecular Weight:
252.2249
MDL Number:
MFCD03841021
IUPAC Name:
4-(4-nitrobenzoyl)benzonitrile
InChI:
InChI=1S/C14H8N2O3/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(8-6-12)16(18)19/h1-8H
InChI Key:
TWQOHWCUSCBNRE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.229g/mol
Monoisotopic Mass:
252.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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