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1187165-09-8 | 2-Chloro-5-(4-heptylbenzoyl)pyridine
CAS No: 1187165-09-8 Catalog No: AG01FDCN MDL No:
Product Description
Catalog Number:
AG01FDCN
Chemical Name:
2-Chloro-5-(4-heptylbenzoyl)pyridine
CAS Number:
1187165-09-8
Molecular Formula:
C19H22ClNO
Molecular Weight:
315.8371
IUPAC Name:
(6-chloropyridin-3-yl)-(4-heptylphenyl)methanone
InChI:
InChI=1S/C19H22ClNO/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)19(22)17-12-13-18(20)21-14-17/h8-14H,2-7H2,1H3
InChI Key:
PJXIOCRANSOODH-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.139g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.841g/mol
Monoisotopic Mass:
315.139g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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