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131822-44-1 | Methanone, (3-chlorophenyl)(4-nitrophenyl)-
CAS No: 131822-44-1 Catalog No: AG000ZRX MDL No:
Product Description
Catalog Number:
AG000ZRX
Chemical Name:
Methanone, (3-chlorophenyl)(4-nitrophenyl)-
CAS Number:
131822-44-1
Molecular Formula:
C13H8ClNO3
Molecular Weight:
261.6605
IUPAC Name:
(3-chlorophenyl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C13H8ClNO3/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(7-5-9)15(17)18/h1-8H
InChI Key:
CZEUNQYRHILGSZ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
321
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:
4
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