AG002RKB

26066-16-0 | Benzene, 1-(chloroMethyl)-3-(1-Methylethoxy)-

AG002RKB

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CAS Number	26066-16-0
Catalog Number	AG002RKB(AGN-PC-05HX7N)
Chemical Name	Benzene, 1-(chloroMethyl)-3-(1-Methylethoxy)-
IUPAC Name	1-(chloromethyl)-3-propan-2-yloxybenzene
InChI	InChI=1S/C10H13ClO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7H2,1-2H3
InChI Key	WBOJRMMVAQIUEN-UHFFFAOYSA-N
MDL Number	MFCD11121536
Molecular Formula	C10H13ClO
Molecular Weight	184.6626
SMILES	CC(OC1=CC(CCl)=CC=C1)C
Synonyms	1-(chloromethyl)-3-isopropoxybenzene, 26066-16-0, 3-isopropoxybenzyl chloride, SCHEMBL757234, WBOJRMMVAQIUEN-UHFFFAOYSA-N, 1-(Chloromethyl)-3-isopropoxybenzen, ZINC21499585, AKOS009225217, DA-07586, 1-(chloromethyl)-3-propan-2-yloxybenzene, FT-0706156, Benzene, 1-(chloromethyl)-3-(1-methylethoxy)-, I01-8642,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.065g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.663g/mol
Monoisotopic Mass	184.065g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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