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1443306-77-1 | 2-(4-Chloro-3,5-dimethylphenyl)-3-methyl-butan-2-ol
CAS No: 1443306-77-1 Catalog No: AG01F8T7 MDL No:
Product Description
Catalog Number:
AG01F8T7
Chemical Name:
2-(4-Chloro-3,5-dimethylphenyl)-3-methyl-butan-2-ol
CAS Number:
1443306-77-1
Molecular Formula:
C13H19ClO
Molecular Weight:
226.7424
IUPAC Name:
2-(4-chloro-3,5-dimethylphenyl)-3-methylbutan-2-ol
InChI:
InChI=1S/C13H19ClO/c1-8(2)13(5,15)11-6-9(3)12(14)10(4)7-11/h6-8,15H,1-5H3
InChI Key:
OOHVAKKIFXNVDM-UHFFFAOYSA-N
SMILES:
CC(C(c1cc(C)c(c(c1)C)Cl)(O)C)C
Properties
Complexity:
205
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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