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82834-45-5 | 2-Bromo-5-methyl-3-nitrothiophene
CAS No: 82834-45-5 Catalog No: AG004WXO MDL No:
Product Description
Catalog Number:
AG004WXO
Chemical Name:
2-Bromo-5-methyl-3-nitrothiophene
CAS Number:
82834-45-5
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
IUPAC Name:
2-bromo-5-methyl-3-nitrothiophene
InChI:
InChI=1S/C5H4BrNO2S/c1-3-2-4(7(8)9)5(6)10-3/h2H,1H3
InChI Key:
WVRAXKINGAIWLD-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)[N+](=O)[O-])Br
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:
2.9
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