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175137-08-3 | 2-Thiophenecarboxylic acid, 3-amino-5-(4-fluorophenyl)-, methyl ester
CAS No: 175137-08-3 Catalog No: AG00209Z MDL No:MFCD00068133
Product Description
Catalog Number:
AG00209Z
Chemical Name:
2-Thiophenecarboxylic acid, 3-amino-5-(4-fluorophenyl)-, methyl ester
CAS Number:
175137-08-3
Molecular Formula:
C12H10FNO2S
Molecular Weight:
251.2767
MDL Number:
MFCD00068133
IUPAC Name:
methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
InChI:
InChI=1S/C12H10FNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3
InChI Key:
YIBRKYVKVWTHEM-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1N)c1ccc(cc1)F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.275g/mol
Monoisotopic Mass:
251.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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