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891785-28-7 | 6-Bromoisoquinolin-3-amine
CAS No: 891785-28-7 Catalog No: AG00369E MDL No:MFCD11101002
Product Description
Catalog Number:
AG00369E
Chemical Name:
6-Bromoisoquinolin-3-amine
CAS Number:
891785-28-7
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD11101002
IUPAC Name:
6-bromoisoquinolin-3-amine
InChI:
InChI=1S/C9H7BrN2/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H,(H2,11,12)
InChI Key:
PQKLBIXLXFRNKT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(nc2)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
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