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1343147-01-2 | 3-(3-Chloro-6-methoxyphenyl)-3-pentanol
CAS No: 1343147-01-2 Catalog No: AG01FCBL MDL No:
Product Description
Catalog Number:
AG01FCBL
Chemical Name:
3-(3-Chloro-6-methoxyphenyl)-3-pentanol
CAS Number:
1343147-01-2
Molecular Formula:
C12H17ClO2
Molecular Weight:
228.7152
IUPAC Name:
3-(5-chloro-2-methoxyphenyl)pentan-3-ol
InChI:
InChI=1S/C12H17ClO2/c1-4-12(14,5-2)10-8-9(13)6-7-11(10)15-3/h6-8,14H,4-5H2,1-3H3
InChI Key:
OTUGLQNARCVOHG-UHFFFAOYSA-N
SMILES:
CCC(c1cc(Cl)ccc1OC)(CC)O
Properties
Complexity:
192
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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