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1379354-41-2 | 2-(3-Chloro-6-methylphenyl)-2-propanol
CAS No: 1379354-41-2 Catalog No: AG01FCPA MDL No:
Product Description
Catalog Number:
AG01FCPA
Chemical Name:
2-(3-Chloro-6-methylphenyl)-2-propanol
CAS Number:
1379354-41-2
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
2-(5-chloro-2-methylphenyl)propan-2-ol
InChI:
InChI=1S/C10H13ClO/c1-7-4-5-8(11)6-9(7)10(2,3)12/h4-6,12H,1-3H3
InChI Key:
BBEPCMPHYGDIJB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(O)(C)C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.663g/mol
Monoisotopic Mass:
184.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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