Home Halogens 3-bromo-1-benzothiophene-5-carbonitrile

3-bromo-1-benzothiophene-5-carbonitrile

CAS No.:
1385757-16-3
Catalog Number:
AG01C5I8
Molecular Formula:
C9H4BrNS
Molecular Weight:
238.1038
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Product Description
Catalog Number:
AG01C5I8
Chemical Name:
3-bromo-1-benzothiophene-5-carbonitrile
CAS Number:
1385757-16-3
Molecular Formula:
C9H4BrNS
Molecular Weight:
238.1038
MDL Number:
MFCD26402428
IUPAC Name:
3-bromo-1-benzothiophene-5-carbonitrile
InChI:
InChI=1S/C9H4BrNS/c10-8-5-12-9-2-1-6(4-11)3-7(8)9/h1-3,5H
InChI Key:
PYIDWAIALNWEMI-UHFFFAOYSA-N
SMILES:
Brc1csc2c1cc(cc2)C#N
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:
3.4  
Properties