CAS Registry Number: 175137-08-3

Name:

2-​Thiophenecarboxylic acid, 3-​amino-​5-​(4-​fluorophenyl)​-​, methyl ester
3-​Amino-​5-​(4-​fluorophenyl)​thiophene-​2-​carboxylic acid methyl ester; 5-​(4-​Fluorophenyl)​-​3-​aminothiophene-​2-​carboxylic acid methyl ester; Methyl 3-​amino-​5-​(4-​fluorophenyl)​thiophene-​2-​carboxylate 

Chemical Formula: C12H10FNO2S
Exact Mass: 251.04
Molecular Weight: 251.28
m/z: 251.04 (100.0%), 252.04 (14.1%), 253.04 (4.7%), 253.05 (1.2%)
Elemental Analysis: C, 57.36; H, 4.01; F, 7.56; N, 5.57; O, 12.73; S, 12.76

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
InChIKey: YIBRKYVKVWTHEM-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)F)N

Specification

98%

PCT Int. Appl. (2012), WO 2012153154 A1 20121115.

PCT Int. Appl. (2010), WO 2010101967 A2 20100910.