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1187170-78-0 | 4-(3-Chlorobenzoyl)isoquinoline
CAS No: 1187170-78-0 Catalog No: AG01FETO MDL No:
Product Description
Catalog Number:
AG01FETO
Chemical Name:
4-(3-Chlorobenzoyl)isoquinoline
CAS Number:
1187170-78-0
Molecular Formula:
C16H10ClNO
Molecular Weight:
267.7097
IUPAC Name:
(3-chlorophenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C16H10ClNO/c17-13-6-3-5-11(8-13)16(19)15-10-18-9-12-4-1-2-7-14(12)15/h1-10H
InChI Key:
GZDYNPHWMFJYPP-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.712g/mol
Monoisotopic Mass:
267.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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