AG003CT4

53066-19-6 | 1-(2,6-Dichlorophenyl)ethanol

AG003CT4

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CAS Number	53066-19-6
Catalog Number	AG003CT4(AGN-PC-0JLDX2)
Chemical Name	1-(2,6-Dichlorophenyl)ethanol
EC Number	258-340-2
IUPAC Name	1-(2,6-dichlorophenyl)ethanol
InChI	InChI=1S/C8H8Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3
InChI Key	VUSOJMQVQGKPNN-UHFFFAOYSA-N
MDL Number	MFCD00016853
Molecular Formula	C8H8Cl2O
Molecular Weight	191.0545
SMILES	CC(O)C1=C(Cl)C=CC=C1Cl
Synonyms	1-(2,6-Dichlorophenyl)ethanol, 53066-19-6, 2,6-Dichloro-alpha-methylbenzyl alcohol, VUSOJMQVQGKPNN-UHFFFAOYSA-N, MFCD00016853, EINECS 258-340-2, ACMC-209uny, 2,6-Dichlorophenylethanol, AC1L2VD8, AC1Q3P2J, SCHEMBL2292937, CTK4J6996, 1-(2,6-dichlorophenyl)-ethanol, 2,6-Dichlorophenyl methyl carbinol, 1-(2,6-dichlorophenyl)ethan-1-ol, 7516AB, AKOS005146016, AC-7173, AN-9252, AS07052, MCULE-4962726182, racemic 1-(2,6-dichlorophenyl)ethanol, TRA0159430, Benzenemethanol,2,6-dichloro-a-methyl-, AS-31292, SC-15035, SY004560, AB0053016, DB-000779, TC-062862, AM20040640, FT-0605494, ST50408136, Benzenemethanol, 2,6-dichloro-.alpha.-methyl-, Z-3844, MFCD00016853 (97+%), I01-8025, C8H8Cl2O, C8-H8-Cl2-O, KST-1B5060, AR-1B0325, CID103731, ZINC02566071, A15626, 5401-50-3,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	191.051g/mol
Monoisotopic Mass	189.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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