AG0033HA

454-92-2 | 3-(Trifluoromethyl)benzoic acid

AG0033HA

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CAS Number	454-92-2
Catalog Number	AG0033HA(AGN-PC-0JK9CR)
Chemical Name	3-(Trifluoromethyl)benzoic acid
EC Number	207-230-2
IUPAC Name	3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	FQXQBFUUVCDIRK-UHFFFAOYSA-N
MDL Number	MFCD00002519
Molecular Formula	C8H5F3O2
Molecular Weight	190.1193
NSC Number	43025
SMILES	FC(C=1C=C(C(=O)O)C=CC1)(F)F
UNII	930H336M90
Synonyms	3-(trifluoromethyl)benzoate, 3-TFM, 3-TFMBA, 3-trifluoromethylbenzoate, 3-trifluoromethylbenzoate, sodium salt, 3-trifluoromethylbenzoate, sodium salt, carboxy-(11)C-labeled, 3-trifluoromethylbenzoate, thallium salt, m-trifluoromethylbenzoic acid, meta-trifluoromethylbenzoate, ortho-trifluoromethylbenzoate, 3-(Trifluoromethyl)benzoic acid, 454-92-2, m-Trifluoromethylbenzoic acid, alpha,alpha,alpha-Trifluoro-m-toluic acid, 3-TRIFLUOROMETHYLBENZOIC ACID, 3-Carboxybenzotrifluoride, Benzoic acid, 3-(trifluoromethyl)-, 3-Trifluoromethyl-benzoic acid, m-(Trifluoromethyl)benzoic acid, 3-(Trifluoromethyl)benzoicacid, m-CARBOXYBENZOTRIFLUORIDE, a,a,a-trifluoro-m-toluic acid, MTF-BOA, UNII-930H336M90, 3-TFMBA, 3-Trifluoromethylbenzoate, m-(trifluoroformyl)benzoic acid, CHEBI:60695, 3-(trifluoromethyl)-benzoic acid, FQXQBFUUVCDIRK-UHFFFAOYSA-N, MFCD00002519, 930H336M90, .alpha.,.alpha.,.alpha.-Trifluoro-m-toluic acid, EINECS 207-230-2, NSC 43025, PubChem5471, ACMC-1AL8C, m-Trifluorometylbenzoic acid, AC1Q72TA, DSSTox_CID_21460, DSSTox_RID_79741, DSSTox_GSID_41460, SCHEMBL40186, KSC137O7P, CHEMBL66551, 3-trifluoromethyl benzoic acid, meta-trifluoromethylbenzoic acid, AC1L1U72, RARECHEM AL BO 0047, DTXSID2041460, meta-trifluoromethyl benzoic acid, FQXQBFUUVCDIRK-UHFFFAOYSA-, TIMTEC-BB SBB003661, 3-(trifluoromethyl) benzoic acid, ACT00892, ALBB-022842, JRD-0051, KS-00000FF9, NSC43025, ZINC2504353, Tox21_300654, ANW-75493, BBL027387, LABOTEST-BB LT00455008, LABOTEST-BB LT03331402, NSC-43025, SBB003661, STK946189, AKOS000118820, 3-(Trifluoromethyl)benzoic acid, 99%, AC-2637, AS00869, CM12892, CS-W009200, LF10873, LS11184, MCULE-4603187172, PS-8388, RP24968, RTC-060537, TRA0076148, NCGC00248130-01, NCGC00254562-01, AJ-35972, AK-41809, AN-13794, BR-41809, CAS-454-92-2, SC-04649, SY002359, alpha,alpha,alpha-Tri-fluoro-m-toluic acid, m-Toluic acid,.alpha.,.alpha.-trifluoro-, AB0011055, AB1001861, Benzoic acid, 3-(trifluoromethyl)- (9CI), DB-024071, TC-060537, TL8003158, A1711, AM20040506, FT-0613928, ST24028368, ST50406656, BETA,BETA,BETA-TRIFLUORO-M-TOLUIC ACID, MFCD00002519 (98%), A21844, Q-8877, 454T922, AO-801/41077429, I01-0538, m-Toluic acid, .alpha.,.alpha.,.alpha.-trifluoro-, m-Toluic acid, alpha,alpha,alpha-trifluoro- (8CI), W-106134, F0001-1229, Z219997452, InChI=1/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13), m-(Trifluoromethyl)phenylacetic acid;2-(3-(Trifluoromethyl)phenyl)acetic acid, qvr cxfff, 3- benzoicacid, C8H5F3O2, Benzoic acid, trifluoromethyl-, CID9963, C8-H5-F3-O2, 3-(Trifluoromethyl)phenylacetic acid, AR-1L3013, T1034, 3-(Trifluoromethyl)benzoic acid, 99% - 10G 10g, |A,|A,|A-Trifluoro-m-toluic acid; 3-Carboxybenzotrifluoride, 351-35-9, 36144-11-3,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.121g/mol
Monoisotopic Mass	190.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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