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887581-26-2 | 1H-Indole-3-methanamine,4-bromo-
CAS No: 887581-26-2 Catalog No: AG004CFR MDL No:
Product Description
Catalog Number:
AG004CFR
Chemical Name:
1H-Indole-3-methanamine,4-bromo-
CAS Number:
887581-26-2
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
IUPAC Name:
(4-bromo-1H-indol-3-yl)methanamine
InChI:
InChI=1S/C9H9BrN2/c10-7-2-1-3-8-9(7)6(4-11)5-12-8/h1-3,5,12H,4,11H2
InChI Key:
DNFPTPYVRKXXIO-UHFFFAOYSA-N
SMILES:
NCc1c[nH]c2c1c(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:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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