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28970-71-0 | 3-Isoquinolinamine, 1-bromo-4-methyl-
CAS No: 28970-71-0 Catalog No: AG002V2D MDL No:
Product Description
Catalog Number:
AG002V2D
Chemical Name:
3-Isoquinolinamine, 1-bromo-4-methyl-
CAS Number:
28970-71-0
Molecular Formula:
C10H9BrN2
Molecular Weight:
237.0959
IUPAC Name:
1-bromo-4-methylisoquinolin-3-amine
InChI:
InChI=1S/C10H9BrN2/c1-6-7-4-2-3-5-8(7)9(11)13-10(6)12/h2-5H,1H3,(H2,12,13)
InChI Key:
YCVJUPIKBPADHA-UHFFFAOYSA-N
SMILES:
Nc1nc(Br)c2c(c1C)cccc2
NSC Number:
152178
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.1g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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