AG003KAZ

330-12-1 | 4-(Trifluoromethoxy)benzoic acid

AG003KAZ

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CAS Number	330-12-1
Catalog Number	AG003KAZ(AGN-PC-0JL7X3)
Chemical Name	4-(Trifluoromethoxy)benzoic acid
EC Number	206-352-3
IUPAC Name	4-(trifluoromethoxy)benzoic acid
InChI	InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	RATSANVPHHXDCT-UHFFFAOYSA-N
MDL Number	MFCD00002541
Molecular Formula	C8H5F3O3
Molecular Weight	206.1187
SMILES	O(C(F)(F)F)c1ccc(cc1)C(=O)O
Synonyms	4-(Trifluoromethoxy)benzoic acid, 330-12-1, p-Trifluoromethoxybenzoic acid, 4-Trifluoromethoxy-benzoic acid, p-Carboxyphenyl trifluoromethyl ether, 4-(Trifluoromethoxy)benzoicacid, Benzoic acid, 4-(trifluoromethoxy)-, 4-trifluoromethoxybenzoic acid, alpha,alpha,alpha-Trifluoro-p-anisic Acid, RATSANVPHHXDCT-UHFFFAOYSA-N, MFCD00002541, EINECS 206-352-3, PubChem4593, AC1L27XQ, AC1Q73FF, ACMC-1CP95, KSC225Q9L, SCHEMBL219654, CHEMBL316498, IFLab1_006322, IFLab2_000032, PARAGOS 500066, Jsp006075, RARECHEM AL BO 0419, CTK1C5895, TIMTEC-BB SBB000455, DTXSID20186633, HMS1429P08, ZINC120453, ACN-S004341, ACT01034, Benzoicacid, 4-(trifluoromethoxy)-, JRD-0649, KS-00000CR6, AKOS BBS-00006470, p-trifluoromethyl carboxyphenyl ether, ANW-27518, BBL011906, CT-171, SBB000455, STK802602, 4-[(trifluoromethyl)oxy]benzoic acid, AKOS000120454, AC-1165, AN-6018, AS01914, BS-4163, CM12888, CS-W015349, MCULE-5002134465, RTR-013841, TF10382, TRA0005524, 4-(Trifluoromethoxy)benzoic acid, 96%, 4-(Trifluoromethoxy)benzoic acid, 99%, IDI1_019058, AJ-11699, AK-49097, BC207232, BR-49097, SC-54103, SY016915, U712, AB0019418, AB1003567, TL8002489, TR-013841, AM20060103, FT-0616879, ST24028851, ST50306927, EN300-17233, C-4545, MFCD00002541 (97+%), I01-1597, W-106795, F0291-0628, F1575-0074, null, qvr doxfff, C8H5F3O3, C8-H5-F3-O3, CID67613, AR-1L3015, A1644, T1400, 4-(Trifluoromethoxy)benzoic acid, 97% - 1G 1g, 33918-12-6,

Complexity	206
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.019g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.12g/mol
Monoisotopic Mass	206.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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