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14770-84-4 | 3-Thiophenecarboxylic acid, 2-amino-5-phenyl-
CAS No: 14770-84-4 Catalog No: AG001F3S MDL No:MFCD03109996
Product Description
Catalog Number:
AG001F3S
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-5-phenyl-
CAS Number:
14770-84-4
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD03109996
IUPAC Name:
2-amino-5-phenylthiophene-3-carboxylic acid
InChI:
InChI=1S/C11H9NO2S/c12-10-8(11(13)14)6-9(15-10)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)
InChI Key:
QSMQLBVCCAMZHD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(sc1N)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Design, synthesis and anti-tubercular evaluation of new 2-acylated and 2-alkylated amino-5-(4-(benzyloxy)phenyl)thiophene-3-carboxylic acid derivatives. Part 1. | European journal of medicinal chemistry 20110901 |
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