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1378874-48-6 | 2-(4-Chloro-2-methylphenyl)-2-butanol
CAS No: 1378874-48-6 Catalog No: AG01FD30 MDL No:
Product Description
Catalog Number:
AG01FD30
Chemical Name:
2-(4-Chloro-2-methylphenyl)-2-butanol
CAS Number:
1378874-48-6
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(4-chloro-2-methylphenyl)butan-2-ol
InChI:
InChI=1S/C11H15ClO/c1-4-11(3,13)10-6-5-9(12)7-8(10)2/h5-7,13H,4H2,1-3H3
InChI Key:
QEZFSNLHKVSFIM-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1C)Cl)(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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