AG00BXUP

320-94-5 | 2-Nitro-4-trifluoromethylbenzoic acid

AG00BXUP

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CAS Number	320-94-5
Catalog Number	AG00BXUP(AGN-PC-0JU80Y)
Chemical Name	2-Nitro-4-trifluoromethylbenzoic acid
IUPAC Name	2-nitro-4-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14)
InChI Key	MYSAXQPTXWKDPQ-UHFFFAOYSA-N
MDL Number	MFCD00007142
Molecular Formula	C8H4F3NO4
Molecular Weight	235.1169
SMILES	O=C(O)C1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
UNII	K9M35SV4P3
Synonyms	2-nitro-4-(trifluoromethyl)benzoic acid, 320-94-5, 2-nitro-4-trifluoromethylbenzoic acid, NTFA, 4-(trifluoromethyl)-2-nitrobenzoic acid, benzoic acid, 2-nitro-4-(trifluoromethyl)-, UNII-K9M35SV4P3, 2-Nitro-4-trifluoromethyl-benzoic acid, K9M35SV4P3, MFCD00007142, 2-Nitro-4-(trifluoromethyl)benzoic acid, 98%, PubChem4539, ACMC-1AHAI, 2NTF-BOA, AC1LD49P, alpha,alpha,alpha-Trifluoro-2-nitro-p-toluic acid, KSC489O5P, SCHEMBL442397, p-Toluic acid, alpha,alpha,alpha-trifluoro-2-nitro-, Jsp005950, RARECHEM AL BO 0289, SCHEMBL13079030, CTK3I9757, TIMTEC-BB SBB028564, DTXSID00348974, BUTTPARK 24\10-94, MYSAXQPTXWKDPQ-UHFFFAOYSA-N, ACT00690, KS-00000J9W, ZINC1081134, ANW-27269, CN-159, SBB028564, TD1064, 4-trifluoromethyl-2-nitrobenzoic acid, AKOS005063816, 2-nitro-4-triflouromethyl-benzoic acid, AC-4002, AS01899, CM12859, CS-W014160, MCULE-8262679015, RTR-013535, VZ25063, AJ-24896, AK-27089, AN-12411, BR-27089, SC-03429, SC-38581, AB0010280, DB-048155, TR-013535, AM20060240, FT-0613161, N0720, ST24028120, ST50319932, EN300-75245, M-1770, 2-Nitro-alpha,alpha,alpha-trifluor-p-toluic acid, 2-nitro-alpha,alpha,alpha-trifluoro-P-toluic acid, I01-2738, J-018629, F0001-2470, InChI=1/C8H4F3NO4/c9-8(10,11)4-1-2-5(7(13)14)6(3-4)12(15)16/h1-3H,(H,13,14, C8H4F3NO4, 2-Nitro-4-trifluoromethylbenzoicacid, CID642096, ACN-050291, 2-Nitro-4-(trifluoromethyl)benzoic acid, 98% - 1G 1g,

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	1.7

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

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