Home Halogens 2-amino-6-bromo-1H-indole-3-carbonitrile

2-amino-6-bromo-1H-indole-3-carbonitrile

CAS No.:
1427028-36-1
Catalog Number:
AG01C5AI
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
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Product Description
Catalog Number:
AG01C5AI
Chemical Name:
2-amino-6-bromo-1H-indole-3-carbonitrile
CAS Number:
1427028-36-1
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
MDL Number:
MFCD23699267
IUPAC Name:
2-amino-6-bromo-1H-indole-3-carbonitrile
InChI:
InChI=1S/C9H6BrN3/c10-5-1-2-6-7(4-11)9(12)13-8(6)3-5/h1-3,13H,12H2
InChI Key:
KXYYZVGEIAIMHQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)[nH]c2c1ccc(c2)Br
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.975g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.072g/mol
Monoisotopic Mass:
234.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties