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1343014-26-5 | 2-(3-Chloro-6-methoxyphenyl)-2-butanol
CAS No: 1343014-26-5 Catalog No: AG01FCN2 MDL No:
Product Description
Catalog Number:
AG01FCN2
Chemical Name:
2-(3-Chloro-6-methoxyphenyl)-2-butanol
CAS Number:
1343014-26-5
Molecular Formula:
C11H15ClO2
Molecular Weight:
214.6886
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)butan-2-ol
InChI:
InChI=1S/C11H15ClO2/c1-4-11(2,13)9-7-8(12)5-6-10(9)14-3/h5-7,13H,4H2,1-3H3
InChI Key:
RZCJKRMWNWPUCZ-UHFFFAOYSA-N
SMILES:
CCC(c1cc(Cl)ccc1OC)(O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.689g/mol
Monoisotopic Mass:
214.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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