AG001KXT

148438-00-0 | Benzoic acid, 3-(trifluoromethoxy)-, methyl ester

AG001KXT

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CAS Number	148438-00-0
Catalog Number	AG001KXT(AGN-PC-0JS8NH)
Chemical Name	Benzoic acid, 3-(trifluoromethoxy)-, methyl ester
IUPAC Name	methyl 3-(trifluoromethoxy)benzoate
InChI	InChI=1S/C9H7F3O3/c1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12/h2-5H,1H3
InChI Key	YWSQRIKZJLRGPT-UHFFFAOYSA-N
MDL Number	MFCD00041005
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	COC(=O)C1=CC(OC(F)(F)F)=CC=C1
Synonyms	methyl 3-(trifluoromethoxy)benzoate, 148438-00-0, Methyl 3-trifluoromethoxybenzoate, Benzoic acid,3-(trifluoromethoxy)-, methyl ester, ACMC-1BXUI, SCHEMBL7055657, TPC-I176, CTK4C5806, KS-00000GKP, YWSQRIKZJLRGPT-UHFFFAOYSA-, DTXSID90333874, YWSQRIKZJLRGPT-UHFFFAOYSA-N, Methyl3-(trifluoromethoxy)benzoate, ZINC2390054, ANW-21141, BBL103391, SBB063285, STL557201, AKOS015853125, AM83232, DS-2194, MCULE-5931077004, PS-7868, RTR-035751, AK-79142, SC-21956, SY045440, METHYL-3-(TRIFLUOROMETHOXY)BENZOATE, AB0058602, DB-013583, TR-035751, 4CH-007466, FT-0628494, ST24031010, ST50408059, Z4184, 3-(Trifluoromethoxy)benzoic acid methyl ester, MFCD00041005 (97%), B-3269, 3-(trifluoromethyloxy)-benzoic acid methyl ester, Benzoic acid, 3-(trifluoromethoxy)-, methyl ester, InChI=1/C9H7F3O3/c1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12/h2-5H,1H3, AC1LARK2, METHYL3- BENZOATE, C9H7F3O3, CID519012, AN-7042, AJ-35658, CJ-08372, I01-1136, Methyl 3-(trifluoromethoxy)benzoate, 98% - 1G 1g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.034729g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.14g/mol
Monoisotopic Mass	220.034729g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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