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100245-61-2 | 3-Thiophenecarboxamide, 4-bromo-
CAS No: 100245-61-2 Catalog No: AG0001CK MDL No:
Product Description
Catalog Number:
AG0001CK
Chemical Name:
3-Thiophenecarboxamide, 4-bromo-
CAS Number:
100245-61-2
Molecular Formula:
C5H4BrNOS
Molecular Weight:
206.0604
IUPAC Name:
4-bromothiophene-3-carboxamide
InChI:
InChI=1S/C5H4BrNOS/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H2,7,8)
InChI Key:
BMZBDWPOBVGKSU-UHFFFAOYSA-N
SMILES:
NC(=O)c1cscc1Br
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.92g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.057g/mol
Monoisotopic Mass:
204.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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