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1443343-97-2 | 3-(4-Chloro-3,5-dimethylphenyl)-3-pentanol
CAS No: 1443343-97-2 Catalog No: AG01FBCC MDL No:
Product Description
Catalog Number:
AG01FBCC
Chemical Name:
3-(4-Chloro-3,5-dimethylphenyl)-3-pentanol
CAS Number:
1443343-97-2
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
IUPAC Name:
3-(4-chloro-3,5-dimethylphenyl)pentan-3-ol
InChI:
InChI=1S/C13H19ClO/c1-5-13(15,6-2)11-7-9(3)12(14)10(4)8-11/h7-8,15H,5-6H2,1-4H3
InChI Key:
IRYTUXTVWBFNSV-UHFFFAOYSA-N
SMILES:
CCC(c1cc(C)c(c(c1)C)Cl)(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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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