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Home > Fluorides > 131505-99-2
131505-99-2 | 1,3-Propanediol, 2-(3-fluorophenyl)-2-(hydroxymethyl)-
CAS No: 131505-99-2 Catalog No: AG000ZAC MDL No:
Product Description
Catalog Number:
AG000ZAC
Chemical Name:
1,3-Propanediol, 2-(3-fluorophenyl)-2-(hydroxymethyl)-
CAS Number:
131505-99-2
Molecular Formula:
C10H13FO3
Molecular Weight:
200.2068
IUPAC Name:
2-(3-fluorophenyl)-2-(hydroxymethyl)propane-1,3-diol
InChI:
InChI=1S/C10H13FO3/c11-9-3-1-2-8(4-9)10(5-12,6-13)7-14/h1-4,12-14H,5-7H2
InChI Key:
JABZGXQPHZXIBY-UHFFFAOYSA-N
SMILES:
OCC(c1cccc(c1)F)(CO)CO
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.209g/mol
Monoisotopic Mass:
200.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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