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1187169-29-4 | 2-Chloro-5-(4-nitrobenzoyl)pyridine
CAS No: 1187169-29-4 Catalog No: AG01FDSN MDL No:
Product Description
Catalog Number:
AG01FDSN
Chemical Name:
2-Chloro-5-(4-nitrobenzoyl)pyridine
CAS Number:
1187169-29-4
Molecular Formula:
C12H7ClN2O3
Molecular Weight:
262.6486
IUPAC Name:
(6-chloropyridin-3-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C12H7ClN2O3/c13-11-6-3-9(7-14-11)12(16)8-1-4-10(5-2-8)15(17)18/h1-7H
InChI Key:
CIEWPFKUAQSEAG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.649g/mol
Monoisotopic Mass:
262.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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