AG00C27J

239135-50-3 | Phenol, 2-fluoro-6-(trifluoromethyl)-

AG00C27J

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CAS Number	239135-50-3
Catalog Number	AG00C27J(AGN-PC-0QZXW6)
Chemical Name	Phenol, 2-fluoro-6-(trifluoromethyl)-
IUPAC Name	2-fluoro-6-(trifluoromethyl)phenol
InChI	InChI=1S/C7H4F4O/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3,12H
InChI Key	UDHBWKRKZXAQPJ-UHFFFAOYSA-N
MDL Number	MFCD00236300
Molecular Formula	C7H4F4O
Molecular Weight	180.0997
SMILES	OC1=C(C(F)(F)F)C=CC=C1F
Synonyms	Nalpha-(2-naphthylsulfonyl)-3-amidinophenylalanine-carboxymethylpiperazide, S124, 2-fluoro-6-(trifluoromethyl)phenol, 239135-50-3, 3-Fluoro-2-hydroxybenzotrifluoride, AC1MCOXZ, SCHEMBL20600777, 2-Fluoro-6-trifluoromethylphenol, CTK7C2265, KS-00003TAF, DTXSID20379225, ZINC2560194, ZX-AP010782, MFCD00236300, PC4539, SBB055264, AKOS016846054, FCH1117175, MCULE-7949551624, 3-Fluoro-2-hydroxybenzotrifluoride 98%, ACM239135503, AJ-40502, Phenol, 2-fluoro-6-(trifluoromethyl)-, S124, TS-02511, AX8217878, FT-0725897, ST24040626, ST50949920, Q-8929, C7H4F4O, ZINC02560194, CID2774798, Phenol, 2-fluoro-6-(trifluoromethyl)-,

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	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

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