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1443328-22-0 | 3-(4-Chloro-3-ethylphenyl)-3-pentanol
CAS No: 1443328-22-0 Catalog No: AG01FD5I MDL No:
Product Description
Catalog Number:
AG01FD5I
Chemical Name:
3-(4-Chloro-3-ethylphenyl)-3-pentanol
CAS Number:
1443328-22-0
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
IUPAC Name:
3-(4-chloro-3-ethylphenyl)pentan-3-ol
InChI:
InChI=1S/C13H19ClO/c1-4-10-9-11(7-8-12(10)14)13(15,5-2)6-3/h7-9,15H,4-6H2,1-3H3
InChI Key:
POXVEKLQECSOPZ-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)C(CC)(CC)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.112g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.744g/mol
Monoisotopic Mass:
226.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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