AG00209Z

175137-08-3 | Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate

AG00209Z

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CAS Number	175137-08-3
Catalog Number	AG00209Z(AGN-PC-0JTWRW)
Chemical Name	Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate
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
MDL Number	MFCD00068133
Molecular Formula	C12H10FNO2S
Molecular Weight	251.2767
SMILES	O=C(C1=C(N)C=C(C2=CC=C(F)C=C2)S1)OC
Synonyms	methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate, 175137-08-3, YIBRKYVKVWTHEM-UHFFFAOYSA-N, CHEMBL1831216, MFCD00068133, PubChem7448, AC1LDJMB, ACMC-20ai1l, Maybridge1_003893, AC1Q42HN, SCHEMBL1724239, CTK3J6985, HMS552I21, KS-00003QUV, ZINC81896, DTXSID90347279, PC5064K, ZX-AP000684, 9082AA, ANW-74311, BDBM50353368, SBB005529, STL220636, AKOS000352106, IMED385056789, MCULE-1750371333, PS-6680, RTR-007818, ACM175137083, AJ-10572, CC-30516, ZB002910, AX8013751, DB-044046, TR-007818, FT-0628538, ST45244466, N-1013, C-15496, Methyl 3-amino-5-(4-fluorophenyl)thiophene-2carboxylate, Z1741959305, Methyl 3-amino-5-(4-fluorophenyl)-2-thiophenecarboxylate, methyl-3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate, 2-Thiophenecarboxylicacid,3-amino-5-(4-fluorophenyl)-,methyl ester, 3-Amino-5-(4-fluorophenyl)thiophene-2-carboxylic acid methyl ester, 2-Thiophenecarboxylic acid, 3-amino-5-(4-fluorophenyl)-, methyl ester, 3-Amino-5-(4-fluoro-phenyl)-thiophene-2-carboxylic acid methyl ester, Methyl 3-amino-5-(4-fluorophenyl)thiophene-2-carboxylate, AldrichCPR, C12H10FNO2S, CID619692, ZINC00081896,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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