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1160474-66-7 | 3-Thiophenecarboxylic acid, 2-(acetylamino)-5-bromo-
CAS No: 1160474-66-7 Catalog No: AG000BH2 MDL No:MFCD12025910
Product Description
Catalog Number:
AG000BH2
Chemical Name:
3-Thiophenecarboxylic acid, 2-(acetylamino)-5-bromo-
CAS Number:
1160474-66-7
Molecular Formula:
C7H6BrNO3S
Molecular Weight:
264.0964
MDL Number:
MFCD12025910
IUPAC Name:
2-acetamido-5-bromothiophene-3-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3S/c1-3(10)9-6-4(7(11)12)2-5(8)13-6/h2H,1H3,(H,9,10)(H,11,12)
InChI Key:
LWJIUZZIQCPFSM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc(cc1C(=O)O)Br
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.925g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.093g/mol
Monoisotopic Mass:
262.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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