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13130-79-5 | 3-Isoquinolinamine, 1-bromo-
CAS No: 13130-79-5 Catalog No: AG000VWA MDL No:MFCD00102193
Product Description
Catalog Number:
AG000VWA
Chemical Name:
3-Isoquinolinamine, 1-bromo-
CAS Number:
13130-79-5
Molecular Formula:
C9H7BrN2
Molecular Weight:
223.0693
MDL Number:
MFCD00102193
IUPAC Name:
1-bromoisoquinolin-3-amine
InChI:
InChI=1S/C9H7BrN2/c10-9-7-4-2-1-3-6(7)5-8(11)12-9/h1-5H,(H2,11,12)
InChI Key:
PSQUIUNIVDKHJK-UHFFFAOYSA-N
SMILES:
Nc1cc2ccccc2c(n1)Br
NSC Number:
152177
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:
2.8
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