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127450-89-9 | 2-(3-Chloro-2-methylphenyl)-2-propanol
CAS No: 127450-89-9 Catalog No: AG01FCLW MDL No:
Product Description
Catalog Number:
AG01FCLW
Chemical Name:
2-(3-Chloro-2-methylphenyl)-2-propanol
CAS Number:
127450-89-9
Molecular Formula:
C10H13ClO
Molecular Weight:
184.6626
IUPAC Name:
2-(3-chloro-2-methylphenyl)propan-2-ol
InChI:
InChI=1S/C10H13ClO/c1-7-8(10(2,3)12)5-4-6-9(7)11/h4-6,12H,1-3H3
InChI Key:
YBHRPSXIGDHPST-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C)C(O)(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:
2.6
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