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127450-90-2 | 2-(3-Chloro-2-methylphenyl)-2-butanol
CAS No: 127450-90-2 Catalog No: AG01FD08 MDL No:
Product Description
Catalog Number:
AG01FD08
Chemical Name:
2-(3-Chloro-2-methylphenyl)-2-butanol
CAS Number:
127450-90-2
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(3-chloro-2-methylphenyl)butan-2-ol
InChI:
InChI=1S/C11H15ClO/c1-4-11(3,13)9-6-5-7-10(12)8(9)2/h5-7,13H,4H2,1-3H3
InChI Key:
NSQNKOIBYRFNCQ-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1C)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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