Home Halogens 4-bromo-5-nitrothiophene-2-carbonitrile

4-bromo-5-nitrothiophene-2-carbonitrile

CAS No.:
31845-00-8
Catalog Number:
AG01C2UB
Molecular Formula:
C5HBrN2O2S
Molecular Weight:
233.0426
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Product Description
Catalog Number:
AG01C2UB
Chemical Name:
4-bromo-5-nitrothiophene-2-carbonitrile
CAS Number:
31845-00-8
Molecular Formula:
C5HBrN2O2S
Molecular Weight:
233.0426
MDL Number:
MFCD18905599
IUPAC Name:
4-bromo-5-nitrothiophene-2-carbonitrile
InChI:
InChI=1S/C5HBrN2O2S/c6-4-1-3(2-7)11-5(4)8(9)10/h1H
InChI Key:
WHIYTPLNDQYIBZ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(s1)[N+](=O)[O-])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:
231.894g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.039g/mol
Monoisotopic Mass:
231.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties