AG003LUS

320-38-7 | 4-Nitro-3-(trifluoromethyl)benzoic acid

AG003LUS

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CAS Number	320-38-7
Catalog Number	AG003LUS(AGN-PC-00UQLU)
Chemical Name	4-Nitro-3-(trifluoromethyl)benzoic acid
IUPAC Name	4-nitro-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3NO4/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12(15)16/h1-3H,(H,13,14)
InChI Key	JIQCKYQIVYCTEZ-UHFFFAOYSA-N
MDL Number	MFCD06200716
Molecular Formula	C8H4F3NO4
Molecular Weight	235.1169
SMILES	O=C(O)C1=CC=C([N+]([O-])=O)C(C(F)(F)F)=C1
Synonyms	4-Nitro-3-(trifluoromethyl)benzoic acid, 320-38-7, AK136456, 4-NITRO-3-(TRIFLUOROMETHYL)BENZOIC ACID&, SCHEMBL615414, CTK8F6185, DTXSID20584534, JIQCKYQIVYCTEZ-UHFFFAOYSA-N, KS-00000RO7, ZX-AP009568, ACM320387, MFCD06200716, PC5546, SBB098373, ZINC12956759, 3-trifluoromethyl-4-nitrobenzoic acid, 4-nitro-3-trifluoromethylbenzoic acid, AKOS005256491, AKOS015889235, 4-nitro-3-trifluoromethyl-benzoic acid, AM83118, CS-W001010, AJ-63246, SC-52120, SY045890, AX8258024, ST2405911, X2817, MFCD06200716 (97%), 4-Nitro-3-(trifluoromethyl)benzoic acid, 97%, K-7494, J-018611, I01-18822, F2191-0119, C8H4F3NO4, Benzoic acid,4-nitro-3-(trifluoromethyl)-,

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	2.7

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