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15814-25-2 | 1,2-Propanediol, 1-[3-(trifluoromethyl)phenyl]-
CAS No: 15814-25-2 Catalog No: AG001Q09 MDL No:
Product Description
Catalog Number:
AG001Q09
Chemical Name:
1,2-Propanediol, 1-[3-(trifluoromethyl)phenyl]-
CAS Number:
15814-25-2
Molecular Formula:
C10H11F3O2
Molecular Weight:
220.1883
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]propane-1,2-diol
InChI:
InChI=1S/C10H11F3O2/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13/h2-6,9,14-15H,1H3
InChI Key:
ISBSOFZWSJBJSW-UHFFFAOYSA-N
SMILES:
CC(C(c1cccc(c1)C(F)(F)F)O)O
EC Number:
239-912-0
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.191g/mol
Monoisotopic Mass:
220.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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