AG00C3XL

219581-07-4 | 3-Fluoro-4-(trifluoromethyl)phenol

AG00C3XL

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CAS Number	219581-07-4
Catalog Number	AG00C3XL(AGN-PC-0WALLF)
Chemical Name	3-Fluoro-4-(trifluoromethyl)phenol
IUPAC Name	3-fluoro-4-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4F4O/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3,12H
InChI Key	XTLJKHBPNDOAGE-UHFFFAOYSA-N
MDL Number	MFCD00236301
Molecular Formula	C7H4F4O
Molecular Weight	180.0997
SMILES	OC1=CC(F)=C(C=C1)C(F)(F)F
Synonyms	3-fluoro-4-(trifluoromethyl)phenol, 219581-07-4, ACMC-209fpu, AC1MCOY3, SCHEMBL187345, CTK7J8895, DTXSID80379226, XTLJKHBPNDOAGE-UHFFFAOYSA-N, 2-Fluoro-4-hydroxybenzotrifluoride, 3-Fluoro-4-trifluoromethyl phenol, ZINC2560195, ANW-24640, MFCD00236301, AKOS005258283, CF-1425, Phenol, 3-fluoro-4-(trifluoromethyl)-, AJ-40503, TC-113385, V4413, B-7931, C7H4F4O, ZINC02560195, CID2774800,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.102g/mol
Monoisotopic Mass	180.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(8)
Hazard statements	H301+H331-H314-H317-H411
Packing Group	Ⅱ
Precautionary statements	P260-P280-P301+P310-P304+P340
UN Code	UN 2927

Certificate of Analysis

Lot Number