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130887-16-0 | Benzenepropanol, 2,4,5-trifluoro-
CAS No: 130887-16-0 Catalog No: AG000V21 MDL No:
Product Description
Catalog Number:
AG000V21
Chemical Name:
Benzenepropanol, 2,4,5-trifluoro-
CAS Number:
130887-16-0
Molecular Formula:
C9H9F3O
Molecular Weight:
190.1624
IUPAC Name:
3-(2,4,5-trifluorophenyl)propan-1-ol
InChI:
InChI=1S/C9H9F3O/c10-7-5-9(12)8(11)4-6(7)2-1-3-13/h4-5,13H,1-3H2
InChI Key:
CBJXXKZMBNMQSG-UHFFFAOYSA-N
SMILES:
OCCCc1cc(F)c(cc1F)F
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.165g/mol
Monoisotopic Mass:
190.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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