AG00C6PR

326493-68-9 | Phenol, 4-ethyl-2,6-difluoro- (9CI)

AG00C6PR

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CAS Number	326493-68-9
Catalog Number	AG00C6PR(AGN-PC-0R7ZCU)
Chemical Name	Phenol, 4-ethyl-2,6-difluoro- (9CI)
IUPAC Name	4-ethyl-2,6-difluorophenol
InChI	InChI=1S/C8H8F2O/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3
InChI Key	NKHUJLNUXPLXCE-UHFFFAOYSA-N
MDL Number	MFCD28163189
Molecular Formula	C8H8F2O
Molecular Weight	158.1453
SMILES	OC1=C(F)C=C(CC)C=C1F
Synonyms	4-ethyl-2,6-difluorophenol, 326493-68-9, SCHEMBL6124950, MFCD28163189, ZINC39088754, AKOS027252810, AS-33377, Phenol, 4-ethyl-2,6-difluoro- (9CI),

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.148g/mol
Monoisotopic Mass	158.054g/mol
Rotatable Bond Count	1
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
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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