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130408-15-0 | Benzenepropanoic acid, 2,5-difluoro-
CAS No: 130408-15-0 Catalog No: AG000UDD MDL No:MFCD04116053
Product Description
Catalog Number:
AG000UDD
Chemical Name:
Benzenepropanoic acid, 2,5-difluoro-
CAS Number:
130408-15-0
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD04116053
IUPAC Name:
3-(2,5-difluorophenyl)propanoic acid
InChI:
InChI=1S/C9H8F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
InChI Key:
DURXQDAFKSWAES-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(F)ccc1F
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| A practical synthesis of a gamma-secretase inhibitor. | The Journal of organic chemistry 20070525 |
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