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50428-20-1 | Thiophene-2-carboxylic acid (4-bromo-phenyl)-amide
CAS No: 50428-20-1 Catalog No: AG01F94Q MDL No:
Product Description
Catalog Number:
AG01F94Q
Chemical Name:
Thiophene-2-carboxylic acid (4-bromo-phenyl)-amide
CAS Number:
50428-20-1
Molecular Formula:
C11H8BrNOS
Molecular Weight:
282.1563
IUPAC Name:
N-(4-bromophenyl)thiophene-2-carboxamide
InChI:
InChI=1S/C11H8BrNOS/c12-8-3-5-9(6-4-8)13-11(14)10-2-1-7-15-10/h1-7H,(H,13,14)
InChI Key:
GOSYKGLEOORQPW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)c1cccs1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.951g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.155g/mol
Monoisotopic Mass:
280.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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