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62882-02-4 | 6-Chloroisoquinoline
CAS No: 62882-02-4 Catalog No: AG003N6K MDL No:MFCD09991646
Product Description
Catalog Number:
AG003N6K
Chemical Name:
6-Chloroisoquinoline
CAS Number:
62882-02-4
Molecular Formula:
C9H6ClN
Molecular Weight:
163.6036
MDL Number:
MFCD09991646
IUPAC Name:
6-chloroisoquinoline
InChI:
InChI=1S/C9H6ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
InChI Key:
NCJNOOHAQSFEJN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ccnc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.604g/mol
Monoisotopic Mass:
163.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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