AG002ROS

26107-80-2 | Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester

AG002ROS

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CAS Number	26107-80-2
Catalog Number	AG002ROS(AGN-PC-0JMRVS)
Chemical Name	Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester
EC Number	671-287-3
IUPAC Name	methyl 3,5-bis(trifluoromethyl)benzoate
InChI	InChI=1S/C10H6F6O2/c1-18-8(17)5-2-6(9(11,12)13)4-7(3-5)10(14,15)16/h2-4H,1H3
InChI Key	LTYNBDAJUXZFHP-UHFFFAOYSA-N
MDL Number	MFCD00052317
Molecular Formula	C10H6F6O2
Molecular Weight	272.1439
SMILES	O=C(OC)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
Synonyms	Methyl 3,5-bis(trifluoromethyl)benzoate, 26107-80-2, Methyl 3,5-di(trifluoromethyl)benzoate radical, MFCD00052317, Benzoic acid, 3,5-bis(trifluoromethyl)-, methyl ester, methyl3,5-bis(trifluoromethyl)benzoate, METHYL 3,5-DI(TRIFLUOROMETHYL)BENZOATE, 3,5-BIS(TRIFLUOROMETHYL)BENZOIC ACID METHYL ESTER, PubChem4989, ACMC-209ygc, AC1L3IPB, SCHEMBL1999038, RARECHEM AL BF 0207, CTK4F7078, KS-00000GKQ, DTXSID20180737, BUTTPARK 89\07-68, LTYNBDAJUXZFHP-UHFFFAOYSA-N, ACT11930, methyl 3,5-diCF3-benzoate radical, ZINC2169267, ANW-48922, SBB064384, Methyl 3,5-bistrifluoromethylbenzoate, AKOS015852711, AC-3900, AS01790, CM-1078, MCULE-2407994133, PS-7273, AJ-33958, AK-76779, AN-12525, BR-76779, CJ-07897, SC-15662, AB0023805, DB-067531, TR-011803, FT-0628504, ST24030992, ST50827011, TL80090260, W4943, A19960, S-1480, 3,5-Di(trifluoromethyl)benzoic acid methyl ester, 3,5-Bis-trifluoromethyl-benzoic acid methyl ester, 3,5-bis-(trifluoromethyl)-benzoic acid methyl ester, 3,5-bis-(trifluoromethyl)benzoic acid methyl ester, I01-4744, Benzoic acid,3,5-bis(trifluoromethyl)-, methyl ester, METHYL3,5-BIS BENZOATE, C10H6F6O2, CID141265, ACN-041797,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.027g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.146g/mol
Monoisotopic Mass	272.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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