AG003Q72

91076-94-7 | Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

AG003Q72

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CAS Number	91076-94-7
Catalog Number	AG003Q72(AGN-PC-0KCDNZ)
Chemical Name	Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
IUPAC Name	ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate
InChI	InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
InChI Key	VOIKQRXCKXHXNF-UHFFFAOYSA-N
MDL Number	MFCD06336766
Molecular Formula	C13H12ClNO2S
Molecular Weight	281.7579
SMILES	O=C(C1=C(N)C=C(C2=CC=C(Cl)C=C2)S1)OCC
Synonyms	Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate, 91076-94-7, ACMC-20akzw, AC1M2KE8, SCHEMBL1143359, CTK5G8902, DTXSID70366625, ZINC2655189, 6694AH, KM2971, MFCD06336766, SBB077821, AKOS000352201, MCULE-1446039047, TC-166883, BB 0218724, I05-3476, Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate, 97%, 2-Thiophenecarboxylicacid,3-amino-5-(4-chlorophenyl)-,ethyl ester, 3-Amino-5-(4-chlorophenyl)-thiophen-2-ylcarboxylic acid ethylester, 3-amino-5-(4-chlorophenyl)-thiophene-2-carboxylic acid ethyl ester, C13H12ClNO2S, ZINC02655189, CID2118786,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.028g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.754g/mol
Monoisotopic Mass	281.028g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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