2,5-Difluorobenzamide - CAS 85118-03-2
Catalog: |
BB037491 |
Product Name: |
2,5-Difluorobenzamide |
CAS: |
85118-03-2 |
Synonyms: |
2,5-difluorobenzamide; 2,5-difluorobenzamide |
IUPAC Name: | 2,5-difluorobenzamide |
Description: | 2,5-Difluorobenzamide (CAS# 85118-03-2) is a useful research chemical. |
Molecular Weight: | 157.12 |
Molecular Formula: | C7H5F2NO |
Canonical SMILES: | C1=CC(=C(C=C1F)C(=O)N)F |
InChI: | InChI=1S/C7H5F2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11) |
InChI Key: | BJKWHAILFUUIRT-UHFFFAOYSA-N |
Boiling Point: | 194.2 ℃ at 760 mmHg |
Melting Point: | 114 ℃ |
Purity: | 95 % |
Density: | 1.348 g/cm3 |
Appearance: | Crystalline powder |
MDL: | MFCD00015548 |
LogP: | 1.76400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3710428-A1 | Modulators of the integrated stress pathway | 20171102 |
AU-2018309085-A1 | Compounds for the prevention and treatment of medical disorders and uses thereof | 20170803 |
CA-3069745-A1 | Compounds for the prevention and treatment of medical disorders and uses thereof | 20170803 |
CN-111032039-A | Compounds for the prevention and treatment of medical disorders and uses thereof | 20170803 |
EP-3661502-A1 | Compounds for the prevention and treatment of medical disorders and uses thereof | 20170803 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.03392011 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.03392011 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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