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1379313-33-3 | 2-(4-Chloro-3-methylphenyl)-2-pentanol
CAS No: 1379313-33-3 Catalog No: AG01FCOR MDL No:
Product Description
Catalog Number:
AG01FCOR
Chemical Name:
2-(4-Chloro-3-methylphenyl)-2-pentanol
CAS Number:
1379313-33-3
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
2-(4-chloro-3-methylphenyl)pentan-2-ol
InChI:
InChI=1S/C12H17ClO/c1-4-7-12(3,14)10-5-6-11(13)9(2)8-10/h5-6,8,14H,4,7H2,1-3H3
InChI Key:
PCSWJBSXDBGTHK-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(c(c1)C)Cl)(O)C
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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