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1379369-80-8 | 2-(4-Chloro-2-methylphenyl)-3-methyl-butan-2-ol
CAS No: 1379369-80-8 Catalog No: AG01F9UA MDL No:
Product Description
Catalog Number:
AG01F9UA
Chemical Name:
2-(4-Chloro-2-methylphenyl)-3-methyl-butan-2-ol
CAS Number:
1379369-80-8
Molecular Formula:
C12H17ClO
Molecular Weight:
212.7158
IUPAC Name:
2-(4-chloro-2-methylphenyl)-3-methylbutan-2-ol
InChI:
InChI=1S/C12H17ClO/c1-8(2)12(4,14)11-6-5-10(13)7-9(11)3/h5-8,14H,1-4H3
InChI Key:
FIOZGALAWSYSFH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)C(C(C)C)(O)C
Properties
Complexity:
193
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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