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1379312-71-6 | 2-(4-Chloro-3-ethylphenyl)-2-butanol
CAS No: 1379312-71-6 Catalog No: AG01FDJ4 MDL No:
Product Description
Catalog Number:
AG01FDJ4
Chemical Name:
2-(4-Chloro-3-ethylphenyl)-2-butanol
CAS Number:
1379312-71-6
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
2-(4-chloro-3-ethylphenyl)butan-2-ol
InChI:
InChI=1S/C12H17ClO/c1-4-9-8-10(6-7-11(9)13)12(3,14)5-2/h6-8,14H,4-5H2,1-3H3
InChI Key:
VLSYKNGJXNILNA-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1Cl)C(CC)(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:
3.6
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