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1024438-75-2 | 4-(4-Chlorophenyl)isoquinoline
CAS No: 1024438-75-2 Catalog No: AG01FEZ8 MDL No:
Product Description
Catalog Number:
AG01FEZ8
Chemical Name:
4-(4-Chlorophenyl)isoquinoline
CAS Number:
1024438-75-2
Molecular Formula:
C15H10ClN
Molecular Weight:
239.6996
IUPAC Name:
4-(4-chlorophenyl)isoquinoline
InChI:
InChI=1S/C15H10ClN/c16-13-7-5-11(6-8-13)15-10-17-9-12-3-1-2-4-14(12)15/h1-10H
InChI Key:
YNXVXECNROJRCC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cncc2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.702g/mol
Monoisotopic Mass:
239.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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