Home Halogens 4-Isoquinolinamine,1-bromo-(9CI)

4-Isoquinolinamine,1-bromo-(9CI)

CAS No.:
55404-28-9
Catalog Number:
AG00DZ8E
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
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Product Description
Catalog Number:
AG00DZ8E
Chemical Name:
4-Isoquinolinamine,1-bromo-(9CI)
CAS Number:
55404-28-9
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD18448504
IUPAC Name:
1-bromoisoquinolin-4-amine
InChI:
InChI=1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)8(11)5-12-9/h1-5H,11H2
InChI Key:
AHFWGWAQOVJQLZ-UHFFFAOYSA-N
SMILES:
Brc1ncc(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:
221.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.073g/mol
Monoisotopic Mass:
221.979g/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