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89499-28-5 | 2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-
CAS No: 89499-28-5 Catalog No: AG0041IS MDL No:
Product Description
Catalog Number:
AG0041IS
Chemical Name:
2-Thiophenecarboxylic acid, 4-(acetylamino)-5-chloro-
CAS Number:
89499-28-5
Molecular Formula:
C7H6ClNO3S
Molecular Weight:
219.6454
IUPAC Name:
4-acetamido-5-chlorothiophene-2-carboxylic acid
InChI:
InChI=1S/C7H6ClNO3S/c1-3(10)9-4-2-5(7(11)12)13-6(4)8/h2H,1H3,(H,9,10)(H,11,12)
InChI Key:
LHWUDAHLLZKNOV-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(sc1Cl)C(=O)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.639g/mol
Monoisotopic Mass:
218.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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