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122098-61-7 | 1,3-Propanediol, 2-(4-chlorophenyl)-
CAS No: 122098-61-7 Catalog No: AG0016RA MDL No:MFCD06202741
Product Description
Catalog Number:
AG0016RA
Chemical Name:
1,3-Propanediol, 2-(4-chlorophenyl)-
CAS Number:
122098-61-7
Molecular Formula:
C9H11ClO2
Molecular Weight:
186.6354
MDL Number:
MFCD06202741
IUPAC Name:
2-(4-chlorophenyl)propane-1,3-diol
InChI:
InChI=1S/C9H11ClO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8,11-12H,5-6H2
InChI Key:
STQBRAGHMXFGHE-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)Cl)CO
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.635g/mol
Monoisotopic Mass:
186.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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