AG001KXU

148437-99-4 | Benzoic acid, 2-(trifluoromethoxy)-, methyl ester

AG001KXU

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CAS Number	148437-99-4
Catalog Number	AG001KXU(AGN-PC-0KKWXM)
Chemical Name	Benzoic acid, 2-(trifluoromethoxy)-, methyl ester
IUPAC Name	methyl 2-(trifluoromethoxy)benzoate
InChI	InChI=1S/C9H7F3O3/c1-14-8(13)6-4-2-3-5-7(6)15-9(10,11)12/h2-5H,1H3
InChI Key	VDJYJSUDISVNRS-UHFFFAOYSA-N
MDL Number	MFCD00052336
Molecular Formula	C9H7F3O3
Molecular Weight	220.1453
SMILES	O=C(OC)C1=CC=CC=C1OC(F)(F)F
Synonyms	methyl 2-(trifluoromethoxy)benzoate, 148437-99-4, 2-(trifluoromethoxy)benzoic acid methyl ester, Benzoic acid,2-(trifluoromethoxy)-, methyl ester, MFCD00052336, Benzoic acid, 2-(trifluoromethoxy)-, methyl ester, ACMC-20eexm, AC1MCQAS, C9H7O3F3, SCHEMBL2649114, CTK4C5805, DTXSID80379584, VDJYJSUDISVNRS-UHFFFAOYSA-N, ZINC167165, KS-00003R5S, methyl-2-(trifluoromethoxy)benzoate, 4570AD, SBB053765, AKOS015853022, MCULE-9506401347, PS-7869, RTR-005965, METHYL2-(TRIFLUOROMETHOXY)BENZOATE, ZB008766, 2-Trifluoromethoxybenzoic acid methyl ester, DB-004611, TR-005965, CS-0081124, FT-0628395, FT-0628396, ST50949699, K-4718, C9H7F3O3, ZINC00167165, CID2775550,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.035g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.147g/mol
Monoisotopic Mass	220.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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