Home Halogens Benzo[b]thiophene-2-carbonitrile, 6-bromo-

Benzo[b]thiophene-2-carbonitrile, 6-bromo-

CAS No.:
1190198-24-3
Catalog Number:
AG000P2D
Molecular Formula:
C9H4BrNS
Molecular Weight:
238.1038
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Product Description
Catalog Number:
AG000P2D
Chemical Name:
Benzo[b]thiophene-2-carbonitrile, 6-bromo-
CAS Number:
1190198-24-3
Molecular Formula:
C9H4BrNS
Molecular Weight:
238.1038
MDL Number:
MFCD12922709
IUPAC Name:
6-bromo-1-benzothiophene-2-carbonitrile
InChI:
InChI=1S/C9H4BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H
InChI Key:
FTEMXAFPAPECGA-UHFFFAOYSA-N
SMILES:
N#Cc1cc2c(s1)cc(cc2)Br
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.925g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.102g/mol
Monoisotopic Mass:
236.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties