AG0053CS

80387-79-7 | 5-(4-nitrophenyl)thiophene-2-carboxylic acid

AG0053CS

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CAS Number	80387-79-7
Catalog Number	AG0053CS(AGN-PC-0WB4HM)
Chemical Name	5-(4-nitrophenyl)thiophene-2-carboxylic acid
IUPAC Name	5-(4-nitrophenyl)thiophene-2-carboxylic acid
InChI	InChI=1S/C11H7NO4S/c13-11(14)10-6-5-9(17-10)7-1-3-8(4-2-7)12(15)16/h1-6H,(H,13,14)
InChI Key	KQLUSGVTGAPFDW-UHFFFAOYSA-N
MDL Number	MFCD00451599
Molecular Formula	C11H7NO4S
Molecular Weight	249.2426
SMILES	[N+](=O)([O-])C1=CC=C(C=C1)C1=CC=C(C(O)=O)S1
Synonyms	5-(4-Nitrophenyl)thiophene-2-carboxylic acid, 80387-79-7, 5-(4-nitrophenyl)-2-thiophenecarboxylic acid, AJ-292/40000944, BAS 00281178, AC1LGV81, SCHEMBL6263158, CTK5E7734, DTXSID40356634, ZINC5006119, ZX-CM016515, 5735AH, KM2031, MFCD00451599, STK279716, AKOS000313693, MCULE-3293250648, AJ-52911, BC4171423, ST45137426, 5-(4-Nitro-phenyl)-thiophene-2-carboxylic acid, 5-(4-NITROPHENYL)THIOPHENE-2-CARBOXYLIC&, SR-01000359325, SR-01000359325-1, 5-(4-Nitrophenyl)thiophene-2-carboxylic acid, AldrichCPR, C11H7NO4S, CID827548,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.01g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.24g/mol
Monoisotopic Mass	249.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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