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1443341-33-0 | 2-(4-Chloro-3-ethylphenyl)-2-pentanol
CAS No: 1443341-33-0 Catalog No: AG01FD66 MDL No:
Product Description
Catalog Number:
AG01FD66
Chemical Name:
2-(4-Chloro-3-ethylphenyl)-2-pentanol
CAS Number:
1443341-33-0
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
IUPAC Name:
2-(4-chloro-3-ethylphenyl)pentan-2-ol
InChI:
InChI=1S/C13H19ClO/c1-4-8-13(3,15)11-6-7-12(14)10(5-2)9-11/h6-7,9,15H,4-5,8H2,1-3H3
InChI Key:
HXSZZDIZYHPKPW-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(c(c1)CC)Cl)(O)C
Properties
Complexity:
195
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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