AG00BF9R

24341-72-8 | 3-[(THIEN-2-YLCARBONYL)AMINO]BENZOIC ACID

AG00BF9R

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CAS Number	24341-72-8
Catalog Number	AG00BF9R(AGN-PC-0R0587)
Chemical Name	3-[(THIEN-2-YLCARBONYL)AMINO]BENZOIC ACID
IUPAC Name	3-(thiophene-2-carbonylamino)benzoic acid
InChI	InChI=1S/C12H9NO3S/c14-11(10-5-2-6-17-10)13-9-4-1-3-8(7-9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChI Key	JFACUNXDFKLILL-UHFFFAOYSA-N
MDL Number	MFCD00593207
Molecular Formula	C12H9NO3S
Molecular Weight	247.2698
SMILES	S1C(=CC=C1)C(=O)NC=1C=C(C(=O)O)C=CC1
Synonyms	24341-72-8, 3-[(thien-2-ylcarbonyl)amino]benzoic acid, 3-(thiophene-2-amido)benzoic acid, BAS 06637290, 3-(Thiophene-2-carboxamido)benzoic acid, Benzoic acid,3-[(2-thienylcarbonyl)amino]-, 3-(2-thienylcarbonylamino)benzoic acid, AC1LEAU0, Benzoic acid, 3-[(2-thienylcarbonyl)amino]-, Oprea1_700313, AC1Q731O, SCHEMBL11077480, CTK4F3426, DTXSID20352694, ZINC148009, SBB004715, STK224144, AKOS000105273, MCULE-5420544217, NE30989, 3-(thiophene-2-carbonylamino)benzoic acid, 3-[(Thiophene-2-carbonyl)amino]benzoic acid, ST50024258, 3-[(thiophen-2-ylcarbonyl)amino]benzoic acid, EN300-13022, 3-[(Thiophene-2-carbonyl)-amino]-benzoic acid, J-511447, Z85877548, 3-[ AMINO]BENZOICACID, CID733125,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.03g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.268g/mol
Monoisotopic Mass	247.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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