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7574-64-3 | 1-Chloroisoquinolin-3-amine
CAS No: 7574-64-3 Catalog No: AG005IQH MDL No:
Product Description
Catalog Number:
AG005IQH
Chemical Name:
1-Chloroisoquinolin-3-amine
CAS Number:
7574-64-3
Molecular Formula:
C9H7ClN2
Molecular Weight:
178.6183
IUPAC Name:
1-chloroisoquinolin-3-amine
InChI:
InChI=1S/C9H7ClN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)
InChI Key:
IUXVAIRMPDVFDK-UHFFFAOYSA-N
SMILES:
Nc1cc2ccccc2c(n1)Cl
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:
2.7
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