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1192815-01-2

1192815-01-2 | 3-Isoquinolinamine, 5-bromo-

CAS No: 1192815-01-2 Catalog No: AG000IIE MDL No:MFCD15526591

Product Description

Catalog Number:
AG000IIE
Chemical Name:
3-Isoquinolinamine, 5-bromo-
CAS Number:
1192815-01-2
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD15526591
IUPAC Name:
5-bromoisoquinolin-3-amine
InChI:
InChI=1S/C9H7BrN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12)
InChI Key:
VZWSVFLRMXYQLA-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(c1)c(Br)ccc2

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  

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