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175201-53-3 | 3-Thiophenecarboxamide, 5-bromo-4-methoxy-
CAS No: 175201-53-3 Catalog No: AG0020ED MDL No:
Product Description
Catalog Number:
AG0020ED
Chemical Name:
3-Thiophenecarboxamide, 5-bromo-4-methoxy-
CAS Number:
175201-53-3
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
IUPAC Name:
5-bromo-4-methoxythiophene-3-carboxamide
InChI:
InChI=1S/C6H6BrNO2S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H2,8,9)
InChI Key:
NKBKDDRFEYVPQW-UHFFFAOYSA-N
SMILES:
COc1c(Br)scc1C(=O)N
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.93g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.083g/mol
Monoisotopic Mass:
234.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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