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725253-12-3 | Phenylamino-thiophen-2-yl-acetic acid
CAS No: 725253-12-3 Catalog No: AG01FD9I MDL No:
Product Description
Catalog Number:
AG01FD9I
Chemical Name:
Phenylamino-thiophen-2-yl-acetic acid
CAS Number:
725253-12-3
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
2-anilino-2-thiophen-2-ylacetic acid
InChI:
InChI=1S/C12H11NO2S/c14-12(15)11(10-7-4-8-16-10)13-9-5-2-1-3-6-9/h1-8,11,13H,(H,14,15)
InChI Key:
QETJEIGOOSANOF-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccs1)Nc1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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