3-(2,4-Difluorophenyl)propionic acid - CAS 134672-70-1
Catalog: |
BB007988 |
Product Name: |
3-(2,4-Difluorophenyl)propionic acid |
CAS: |
134672-70-1 |
Synonyms: |
3-(2,4-difluorophenyl)propanoic acid |
IUPAC Name: | 3-(2,4-difluorophenyl)propanoic acid |
Description: | 3-(2,4-Difluorophenyl)propionic acid (CAS# 134672-70-1) is a useful research chemical. |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | C1=CC(=C(C=C1F)F)CCC(=O)O |
InChI: | InChI=1S/C9H8F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
InChI Key: | XAPRKUUFZCSOTE-UHFFFAOYSA-N |
Boiling Point: | 271.8 °C at 760 mmHg |
Melting Point: | 104-108 °C (lit.) |
Purity: | 95 % |
Density: | 1.312 g/cm3 |
Appearance: | White to off-white solid |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD04116052 |
LogP: | 1.98200 |
Publication Number | Title | Priority Date |
US-2019119200-A1 | Tertiary amides and method of use | 20160406 |
WO-2017177004-A1 | Tertiary amides and method of use | 20160406 |
CA-2988356-A1 | N-menthylbenzimidazoles as midh1 inhibitors | 20150608 |
EP-3303302-A1 | N-menthylbenzimidazoles as midh1 inhibitors | 20150608 |
EP-3303302-B1 | N-menthylbenzimidazoles as midh1 inhibitors | 20150608 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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