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1187169-36-3 | 5-(4-tert-Butylbenzoyl)-2-chloropyridine
CAS No: 1187169-36-3 Catalog No: AG01FBVN MDL No:
Product Description
Catalog Number:
AG01FBVN
Chemical Name:
5-(4-tert-Butylbenzoyl)-2-chloropyridine
CAS Number:
1187169-36-3
Molecular Formula:
C16H16ClNO
Molecular Weight:
273.7573
IUPAC Name:
(4-tert-butylphenyl)-(6-chloropyridin-3-yl)methanone
InChI:
InChI=1S/C16H16ClNO/c1-16(2,3)13-7-4-11(5-8-13)15(19)12-6-9-14(17)18-10-12/h4-10H,1-3H3
InChI Key:
XOGOUOUUXVZUDN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cn1)C(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.76g/mol
Monoisotopic Mass:
273.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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