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890098-19-8 | 2-CHLORO-3'-NITROBENZOPHENONE
CAS No: 890098-19-8 Catalog No: AG00444X MDL No:
Product Description
Catalog Number:
AG00444X
Chemical Name:
2-CHLORO-3'-NITROBENZOPHENONE
CAS Number:
890098-19-8
Molecular Formula:
C13H8ClNO3
Molecular Weight:
261.6605
IUPAC Name:
(2-chlorophenyl)-(3-nitrophenyl)methanone
InChI:
InChI=1S/C13H8ClNO3/c14-12-7-2-1-6-11(12)13(16)9-4-3-5-10(8-9)15(17)18/h1-8H
InChI Key:
QWTRXOQFGKHZBP-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.661g/mol
Monoisotopic Mass:
261.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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