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1378860-20-8 | 2-(4-Chloro-3,5-dimethylphenyl)-2-propanol
CAS No: 1378860-20-8 Catalog No: AG01FB9I MDL No:
Product Description
Catalog Number:
AG01FB9I
Chemical Name:
2-(4-Chloro-3,5-dimethylphenyl)-2-propanol
CAS Number:
1378860-20-8
Molecular Formula:
C11H15ClO
Molecular Weight:
198.6892
IUPAC Name:
2-(4-chloro-3,5-dimethylphenyl)propan-2-ol
InChI:
InChI=1S/C11H15ClO/c1-7-5-9(11(3,4)13)6-8(2)10(7)12/h5-6,13H,1-4H3
InChI Key:
CVIPIWMQZKWTQO-UHFFFAOYSA-N
SMILES:
Clc1c(C)cc(cc1C)C(O)(C)C
Properties
Complexity:
167
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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