Home Nitriles 5-Bromo-1H-indole-2-carbonitrile

5-Bromo-1H-indole-2-carbonitrile

CAS No.:
902772-13-8
Catalog Number:
AG006GWD
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG006GWD
Chemical Name:
5-Bromo-1H-indole-2-carbonitrile
CAS Number:
902772-13-8
Molecular Formula:
C9H5BrN2
Molecular Weight:
221.0534
MDL Number:
MFCD20727965
IUPAC Name:
5-bromo-1H-indole-2-carbonitrile
InChI:
InChI=1S/C9H5BrN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H
InChI Key:
PWYJCECTKKQOTQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c([nH]1)ccc(c2)Br
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.057g/mol
Monoisotopic Mass:
219.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties