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188928-10-1 | Benzeneethanol, 4-[(3,4-dichlorophenyl)methoxy]-, 1-methanesulfonate
CAS No: 188928-10-1 Catalog No: AG002HJN MDL No:
Product Description
Catalog Number:
AG002HJN
Chemical Name:
Benzeneethanol, 4-[(3,4-dichlorophenyl)methoxy]-, 1-methanesulfonate
CAS Number:
188928-10-1
Molecular Formula:
C16H16Cl2O4S
Molecular Weight:
375.2668
IUPAC Name:
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]ethyl methanesulfonate
InChI:
InChI=1S/C16H16Cl2O4S/c1-23(19,20)22-9-8-12-2-5-14(6-3-12)21-11-13-4-7-15(17)16(18)10-13/h2-7,10H,8-9,11H2,1H3
InChI Key:
DMDKUUBCBOPAQB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)COc1ccc(cc1)CCOS(=O)(=O)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.26g/mol
Monoisotopic Mass:
374.015g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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