AG003JSS

328-80-3 | 3-Nitro-5-(trifluoromethyl)benzoic acid

AG003JSS

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CAS Number	328-80-3
Catalog Number	AG003JSS(AGN-PC-0JTUWC)
Chemical Name	3-Nitro-5-(trifluoromethyl)benzoic acid
IUPAC Name	3-nitro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
InChI Key	ODCLHXGXGFBBTA-UHFFFAOYSA-N
MDL Number	MFCD00024509
Molecular Formula	C8H4F3NO4
Molecular Weight	235.1169
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
Synonyms	3-Nitro-5-(trifluoromethyl)benzoic acid, 328-80-3, 3-Nitro-5-trifluoromethylbenzoic acid, 3-Carboxy-5-nitrobenzotrifluoride, 3-Trifluoromethyl-5-nitrobenzoic Acid, 3-(trifluoromethyl)-5-nitrobenzoic acid, ODCLHXGXGFBBTA-UHFFFAOYSA-N, MFCD00024509, 3-nitro-5(trifluoromethyl)benzoic acid, Benzoic acid, 3-nitro-5-(trifluoromethyl)-, PubChem4544, AC1LDDK9, ACMC-1CR4T, AC1Q72ST, SCHEMBL129366, RARECHEM AL BO 1012, CHEMBL2179900, CTK3J6422, ODCLHXGXGFBBTA-UHFFFAOYSA-, TIMTEC-BB SBB028565, DTXSID10346941, BUTTPARK 25\01-30, ZINC156287, ACT07358, ANW-27483, CL8096, CN-436, LABOTEST-BB LT00454389, LABOTEST-BB LT03380170, LABOTEST-BB LT03496870, SBB028565, 5-Trifluoromethyl-3-nitrobenzoic acid, 3-nitro-5-trifluormethyl-benzoic acid, AKOS005216892, 3-Nitro-5-trifluoromethyl benzoic acid, 5-nitro-3-trifluoromethyl-benzoic acid, a,a,a-trifluoro-5-nitro-m-toluic acid, AB01441, AC-4003, AN-6248, AS01900, CM12861, CS-W010331, MCULE-6622583721, RTR-013797, TRA0012419, 3-nitro-5 (trifluoromethyl)benzoic acid, 5-nitro-3-(trifluoromethyl)benzoic acid, 3-Carboxy-5-(trifluoromethyl)nitrobenzene, 3-Nitro-5-(trifluoromethyl) benzoic acid, AJ-13760, AK-34712, BR-34712, SC-48984, SY024756, AB0031415, TR-013797, AM20060887, FT-0616227, ST24032657, ST50407031, TL80090385, X4505, S-2001, MFCD00024509 (97+%), I01-4784, Z1741958746, InChI=1/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14), C8H4F3NO4, CID616602, 3-Nitro-5-trifluoromethyl-benzoic acid, ACN-056546, T1344,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.009g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.118g/mol
Monoisotopic Mass	235.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number