Home Halogens 2-bromo-3-methyl-5-nitrothiophene

2-bromo-3-methyl-5-nitrothiophene

CAS No.:
56182-39-9
Catalog Number:
AG019W49
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
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Product Description
Catalog Number:
AG019W49
Chemical Name:
2-bromo-3-methyl-5-nitrothiophene
CAS Number:
56182-39-9
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
MDL Number:
MFCD12912856
IUPAC Name:
2-bromo-3-methyl-5-nitrothiophene
InChI:
InChI=1S/C5H4BrNO2S/c1-3-2-4(7(8)9)10-5(3)6/h2H,1H3
InChI Key:
ILEZTVGLBNABDK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(s1)Br)C
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.915g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.056g/mol
Monoisotopic Mass:
220.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties