Home Halogens 1H-Indole-3-acetonitrile, 5-bromo-

1H-Indole-3-acetonitrile, 5-bromo-

CAS No.:
774-14-1
Catalog Number:
AG005ML0
Molecular Formula:
C10H7BrN2
Molecular Weight:
235.0800
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Product Description
Catalog Number:
AG005ML0
Chemical Name:
1H-Indole-3-acetonitrile, 5-bromo-
CAS Number:
774-14-1
Molecular Formula:
C10H7BrN2
Molecular Weight:
235.0800
MDL Number:
MFCD09954795
IUPAC Name:
2-(5-bromo-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
InChI Key:
QPEAZVAMEMXQHF-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.084g/mol
Monoisotopic Mass:
233.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties