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189330-08-3 | 2-Thiophenecarboxamide, 5-bromo-4-methyl-
CAS No: 189330-08-3 Catalog No: AG002IBF MDL No:
Product Description
Catalog Number:
AG002IBF
Chemical Name:
2-Thiophenecarboxamide, 5-bromo-4-methyl-
CAS Number:
189330-08-3
Molecular Formula:
C6H6BrNOS
Molecular Weight:
220.0869
IUPAC Name:
5-bromo-4-methylthiophene-2-carboxamide
InChI:
InChI=1S/C6H6BrNOS/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H2,8,9)
InChI Key:
HUXQMSWPHULFRN-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(c(s1)Br)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.935g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.084g/mol
Monoisotopic Mass:
218.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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