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139406-15-8 | 1,3-Propanediol, 1-(2-chlorophenyl)-2,2-dimethyl-, (1R)-
CAS No: 139406-15-8 Catalog No: AG001AYP MDL No:MFCD28976644
Product Description
Catalog Number:
AG001AYP
Chemical Name:
1,3-Propanediol, 1-(2-chlorophenyl)-2,2-dimethyl-, (1R)-
CAS Number:
139406-15-8
Molecular Formula:
C11H15ClO2
Molecular Weight:
214.6886
MDL Number:
MFCD28976644
IUPAC Name:
(1R)-1-(2-chlorophenyl)-2,2-dimethylpropane-1,3-diol
InChI:
InChI=1S/C11H15ClO2/c1-11(2,7-13)10(14)8-5-3-4-6-9(8)12/h3-6,10,13-14H,7H2,1-2H3/t10-/m0/s1
InChI Key:
QRVPERDYBIBNET-JTQLQIEISA-N
SMILES:
OCC([C@H](c1ccccc1Cl)O)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.689g/mol
Monoisotopic Mass:
214.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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