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1379326-14-3 | 2-(3-Chloro-4-methylphenyl)-2-butanol
CAS No: 1379326-14-3 Catalog No: AG01FD37 MDL No:
Product Description
Catalog Number:
AG01FD37
Chemical Name:
2-(3-Chloro-4-methylphenyl)-2-butanol
CAS Number:
1379326-14-3
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(3-chloro-4-methylphenyl)butan-2-ol
InChI:
InChI=1S/C11H15ClO/c1-4-11(3,13)9-6-5-8(2)10(12)7-9/h5-7,13H,4H2,1-3H3
InChI Key:
UTUFKRWGKGCDCA-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Cl)C)(O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.081g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.69g/mol
Monoisotopic Mass:
198.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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