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1379342-67-2 | 2-(3-Chloro-6-methylphenyl)-2-pentanol
CAS No: 1379342-67-2 Catalog No: AG01FCP2 MDL No:
Product Description
Catalog Number:
AG01FCP2
Chemical Name:
2-(3-Chloro-6-methylphenyl)-2-pentanol
CAS Number:
1379342-67-2
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
2-(5-chloro-2-methylphenyl)pentan-2-ol
InChI:
InChI=1S/C12H17ClO/c1-4-7-12(3,14)11-8-10(13)6-5-9(11)2/h5-6,8,14H,4,7H2,1-3H3
InChI Key:
IAVGRDKKMJOLNH-UHFFFAOYSA-N
SMILES:
CC(c1cc(Cl)ccc1C)(CCC)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.097g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.717g/mol
Monoisotopic Mass:
212.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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