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1260799-38-9 | 4-Isoquinolinamine, 1-chloro-
CAS No: 1260799-38-9 Catalog No: AG000RBR MDL No:MFCD13193484
Product Description
Catalog Number:
AG000RBR
Chemical Name:
4-Isoquinolinamine, 1-chloro-
CAS Number:
1260799-38-9
Molecular Formula:
C9H7ClN2
Molecular Weight:
178.6183
MDL Number:
MFCD13193484
IUPAC Name:
1-chloroisoquinolin-4-amine
InChI:
InChI=1S/C9H7ClN2/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H,11H2
InChI Key:
BXGZSRATRICMOB-UHFFFAOYSA-N
SMILES:
Clc1ncc(c2c1cccc2)N
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:
2.4
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