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1283108-77-9 | 3-Acetyl-6-chloro-4-(4-chlorophenyl)quinolin-2(1H)-one
CAS No: 1283108-77-9 Catalog No: AG01APNF MDL No:MFCD21091972
Product Description
Catalog Number:
AG01APNF
Chemical Name:
3-Acetyl-6-chloro-4-(4-chlorophenyl)quinolin-2(1H)-one
CAS Number:
1283108-77-9
Molecular Formula:
C17H11Cl2NO2
Molecular Weight:
332.1807
MDL Number:
MFCD21091972
IUPAC Name:
3-acetyl-6-chloro-4-(4-chlorophenyl)-1H-quinolin-2-one
InChI:
InChI=1S/C17H11Cl2NO2/c1-9(21)15-16(10-2-4-11(18)5-3-10)13-8-12(19)6-7-14(13)20-17(15)22/h2-8H,1H3,(H,20,22)
InChI Key:
KHOMBBJCLYEZQF-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c2cc(Cl)ccc2[nH]c(=O)c1C(=O)C
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.017g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.18g/mol
Monoisotopic Mass:
331.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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