Home Halogens 1-Isoquinolinamine, 4-chloro-

1-Isoquinolinamine, 4-chloro-

CAS No.:
30598-04-0
Catalog Number:
AG0030MO
Molecular Formula:
C9H7ClN2
Molecular Weight:
178.6183
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Product Description
Catalog Number:
AG0030MO
Chemical Name:
1-Isoquinolinamine, 4-chloro-
CAS Number:
30598-04-0
Molecular Formula:
C9H7ClN2
Molecular Weight:
178.6183
MDL Number:
MFCD14702487
IUPAC Name:
4-chloroisoquinolin-1-amine
InChI:
InChI=1S/C9H7ClN2/c10-8-5-12-9(11)7-4-2-1-3-6(7)8/h1-5H,(H2,11,12)
InChI Key:
AFKQABNNIRMZSJ-UHFFFAOYSA-N
SMILES:
Nc1ncc(c2c1cccc2)Cl
NSC Number:
338288
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  
Properties