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89721-10-8 | Isoquinoline, 3-chloro-6,7-dimethoxy-1-phenyl-
CAS No: 89721-10-8 Catalog No: AG0043VJ MDL No:
Product Description
Catalog Number:
AG0043VJ
Chemical Name:
Isoquinoline, 3-chloro-6,7-dimethoxy-1-phenyl-
CAS Number:
89721-10-8
Molecular Formula:
C17H14ClNO2
Molecular Weight:
299.7516
IUPAC Name:
3-chloro-6,7-dimethoxy-1-phenylisoquinoline
InChI:
InChI=1S/C17H14ClNO2/c1-20-14-8-12-9-16(18)19-17(11-6-4-3-5-7-11)13(12)10-15(14)21-2/h3-10H,1-2H3
InChI Key:
PMFRJDAQQJBTDS-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)cc(nc2c1ccccc1)Cl
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.754g/mol
Monoisotopic Mass:
299.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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