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119492-36-3 | 1,3-Propanediol, 1-(4-chlorophenyl)-1-phenyl-, (R)- (9CI)
CAS No: 119492-36-3 Catalog No: AG000IVL MDL No:
Product Description
Catalog Number:
AG000IVL
Chemical Name:
1,3-Propanediol, 1-(4-chlorophenyl)-1-phenyl-, (R)- (9CI)
CAS Number:
119492-36-3
Molecular Formula:
C15H15ClO2
Molecular Weight:
262.7314
IUPAC Name:
1-(4-chlorophenyl)-1-phenylpropane-1,3-diol
InChI:
InChI=1S/C15H15ClO2/c16-14-8-6-13(7-9-14)15(18,10-11-17)12-4-2-1-3-5-12/h1-9,17-18H,10-11H2
InChI Key:
LHAKKIKCJWGBMA-UHFFFAOYSA-N
SMILES:
OCC[C@@](c1ccccc1)(c1ccc(cc1)Cl)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.733g/mol
Monoisotopic Mass:
262.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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