3,6-Difluoro-o-phenylenediamine - CAS 2369-30-4
Catalog: |
BB018153 |
Product Name: |
3,6-Difluoro-o-phenylenediamine |
CAS: |
2369-30-4 |
Synonyms: |
3,6-difluorobenzene-1,2-diamine; 3,6-difluorobenzene-1,2-diamine |
IUPAC Name: | 3,6-difluorobenzene-1,2-diamine |
Description: | 3,6-Difluoro-o-phenylenediamine (CAS# 2369-30-4) is a useful research chemical. |
Molecular Weight: | 144.12 |
Molecular Formula: | C6H6F2N2 |
Canonical SMILES: | C1=CC(=C(C(=C1F)N)N)F |
InChI: | InChI=1S/C6H6F2N2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,9-10H2 |
InChI Key: | IYJMVKAOSXBHBG-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019138017-A1 | Fused imidazole derivatives as il-17 modulators | 20180115 |
CN-111601799-A | Fused imidazole derivatives as Il-17 modulators | 20180115 |
EP-3740478-A1 | Fused imidazole derivatives as il-17 modulators | 20180115 |
US-2021053952-A1 | Fused Imidazole Derivatives as IL-17 Modulators | 20180115 |
JP-2021510707-A | Condensed imidazole derivative as IL-17 modulator | 20180115 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.04990452 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.04990452 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Amines and Anilines
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