AG003FWC

779-88-4 | 2,5-Bis(trifluoromethyl)phenol

AG003FWC

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CAS Number	779-88-4
Catalog Number	AG003FWC(AGN-PC-0KYAF7)
Chemical Name	2,5-Bis(trifluoromethyl)phenol
IUPAC Name	2,5-bis(trifluoromethyl)phenol
InChI	InChI=1S/C8H4F6O/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3,15H
InChI Key	OJOPQGWFLQVKDU-UHFFFAOYSA-N
MDL Number	MFCD04973414
Molecular Formula	C8H4F6O
Molecular Weight	230.1072
SMILES	OC1=CC(C(F)(F)F)=CC=C1C(F)(F)F
Synonyms	2,5-bis(trifluoromethyl)phenol, 779-88-4, Phenol, 2,5-bis(trifluoromethyl)-, AK-86224, AC1MUMF4, AC1Q78JC, SCHEMBL2001354, CTK5E5269, DTXSID00394850, ACT00323, ANW-46412, MFCD04973414, ZINC95616294, AKOS015907649, AM61679, AS06953, CB-2749, TRA0054329, VZ22686, KS-000009C4, AJ-39118, AN-47603, AS-31236, CC-07653, SY020757, AX8010847, DB-020021, TC-135157, FT-0632950, ST24027331, W8433, C-5273, MFCD04973414 (95+%), A839307, C-13317, I14-29420, C8H4F6O, CID3668378, 2,5-Bis(trifluoromethyl)phenol - 5G 5g, 106615-61-6,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.017g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.109g/mol
Monoisotopic Mass	230.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number