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1379313-45-7 | 3-(3-Chloro-6-methylphenyl)-3-pentanol
CAS No: 1379313-45-7 Catalog No: AG01FCOS MDL No:
Product Description
Catalog Number:
AG01FCOS
Chemical Name:
3-(3-Chloro-6-methylphenyl)-3-pentanol
CAS Number:
1379313-45-7
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
3-(5-chloro-2-methylphenyl)pentan-3-ol
InChI:
InChI=1S/C12H17ClO/c1-4-12(14,5-2)11-8-10(13)7-6-9(11)3/h6-8,14H,4-5H2,1-3H3
InChI Key:
YDSFQKCZCNXVJU-UHFFFAOYSA-N
SMILES:
CCC(c1cc(Cl)ccc1C)(CC)O
Properties
Complexity:
177
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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