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1443306-95-3 | 2-(3-Chloro-6-methoxyphenyl)-2-pentanol
CAS No: 1443306-95-3 Catalog No: AG01FCDE MDL No:
Product Description
Catalog Number:
AG01FCDE
Chemical Name:
2-(3-Chloro-6-methoxyphenyl)-2-pentanol
CAS Number:
1443306-95-3
Molecular Formula:
C12H17ClO2
Molecular Weight:
228.7152
IUPAC Name:
2-(5-chloro-2-methoxyphenyl)pentan-2-ol
InChI:
InChI=1S/C12H17ClO2/c1-4-7-12(2,14)10-8-9(13)5-6-11(10)15-3/h5-6,8,14H,4,7H2,1-3H3
InChI Key:
WSLKQPMAFOMJDA-UHFFFAOYSA-N
SMILES:
CCCC(c1cc(Cl)ccc1OC)(O)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.716g/mol
Monoisotopic Mass:
228.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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