4-Difluoromethoxy-1,2-phenylendiamine - CAS 172282-50-7
Catalog: |
BB068684 |
Product Name: |
4-Difluoromethoxy-1,2-phenylendiamine |
CAS: |
172282-50-7 |
Synonyms: |
2-Amino-4-difluoromethoxyaniline; 4-Difluoromethoxybenzene-1,2-diamine |
IUPAC Name: | 4-(difluoromethoxy)benzene-1,2-diamine |
Description: | 4-Difluoromethoxy-1,2-phenylendiamine is used in preparation of benzimidazole derivatives as TRPC6 inhibitors |
Molecular Weight: | 174.15 |
Molecular Formula: | C7H8F2N2O |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)F)N)N |
InChI: | InChI=1S/C7H8F2N2O/c8-7(9)12-4-1-2-5(10)6(11)3-4/h1-3,7H,10-11H2 |
InChI Key: | GRBDLKBKKHPPQX-UHFFFAOYSA-N |
Solubility: | Benzene (Slightly), Chloroform (Slightly) |
Appearance: | Dark Red to Very Dark Brown Solid |
Storage: | 4°C, Inert atmosphere |
References: | Batberger, M., et al., PCT Int. Appli, (2018),. |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.06046921 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.06046921 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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