AG002Z1N

2967-66-0 | Benzoic acid, 4-(trifluoromethyl)-, methyl ester

AG002Z1N

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CAS Number	2967-66-0
Catalog Number	AG002Z1N(AGN-PC-0JS9HL)
Chemical Name	Benzoic acid, 4-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 4-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChI Key	VAZWXPJOOFSNLB-UHFFFAOYSA-N
MDL Number	MFCD00042324
Molecular Formula	C9H7F3O2
Molecular Weight	204.1459
SMILES	FC(C1=CC=C(C(=O)OC)C=C1)(F)F
Synonyms	Methyl 4-(trifluoromethyl)benzoate, 2967-66-0, Methyl 4-trifluoromethylbenzoate, 4-(Trifluoromethyl)benzoic Acid Methyl Ester, methyl-4-(trifluoromethyl)benzoate, Methyl-4-trifluoromethylbenzoate, 3-CF3-C6H4-COOCH3, methyl p-(trifluoromethyl)benzoate, VAZWXPJOOFSNLB-UHFFFAOYSA-N, Benzoic acid, 4-(trifluoromethyl)-, methyl ester, MFCD00042324, Methyl alpha,alpha,alpha-Trifluoro-p-toluate, AC1LAUAO, PubChem14120, ACMC-209hab, KSC495G5L, SCHEMBL385370, methyl p-trifluoromethylbenzoate, Jsp005619, CTK3J5355, DTXSID60334353, EBD8522, Methyl4-(Trifluoromethyl)benzoate, ZINC163155, ACT00385, KS-00000BN4, ANW-26673, SBB063996, AKOS005259455, CM-1146, CS-W015431, LS11189, MCULE-8122631596, PF10988, PS-8144, RTC-060750, AC-24970, AJ-15988, AK-47500, BR-47500, CJ-02064, Methyl 4-(trifluoromethyl)benzoate, 99%, SC-26783, ZB007931, 4-trifluoromethyl-benzoic acid methyl ester, AB0011610, DB-047622, ST2413382, TC-060750, AM20060388, FT-0616916, M1498, ST50306866, C-4680, I01-3579, J-017596, F0001-0918, 4-(Trifluoromethyl)benzoic acid methyl ester; Methyl 4-(trifluoromethyl)benzoate, Methyl4-trifluoromethylbenzoate, C9H7F3O2, CID520447, ZINC00163155, A16043, Methyl 4-(trifluoromethyl)benzoate, 99% - 1G 1g,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.148g/mol
Monoisotopic Mass	204.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^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

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