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89721-07-3 | Isoquinoline, 3-chloro-1-phenyl-
CAS No: 89721-07-3 Catalog No: AG0042GE MDL No:
Product Description
Catalog Number:
AG0042GE
Chemical Name:
Isoquinoline, 3-chloro-1-phenyl-
CAS Number:
89721-07-3
Molecular Formula:
C15H10ClN
Molecular Weight:
239.6996
IUPAC Name:
3-chloro-1-phenylisoquinoline
InChI:
InChI=1S/C15H10ClN/c16-14-10-12-8-4-5-9-13(12)15(17-14)11-6-2-1-3-7-11/h1-10H
InChI Key:
LZRDUNPETLXZLD-UHFFFAOYSA-N
SMILES:
Clc1cc2ccccc2c(n1)c1ccccc1
Properties
Complexity:
249
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:
4.7
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