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1196154-21-8 | 1-Isoquinolinamine, 7-chloro-
CAS No: 1196154-21-8 Catalog No: AG000PC6 MDL No:
Product Description
Catalog Number:
AG000PC6
Chemical Name:
1-Isoquinolinamine, 7-chloro-
CAS Number:
1196154-21-8
Molecular Formula:
C9H7ClN2
Molecular Weight:
178.6183
IUPAC Name:
7-chloroisoquinolin-1-amine
InChI:
InChI=1S/C9H7ClN2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H,(H2,11,12)
InChI Key:
DFEHRRKQQUUOEG-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(N)ncc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.619g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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