2,3-Difluoro-4-nitroanisole - CAS 66684-59-1
Catalog: |
BB033083 |
Product Name: |
2,3-Difluoro-4-nitroanisole |
CAS: |
66684-59-1 |
Synonyms: |
2,3-difluoro-1-methoxy-4-nitrobenzene; 2,3-difluoro-1-methoxy-4-nitrobenzene |
IUPAC Name: | 2,3-difluoro-1-methoxy-4-nitrobenzene |
Description: | 2,3-Difluoro-4-nitroanisole (CAS# 66684-59-1) is a useful research chemical. |
Molecular Weight: | 189.12 |
Molecular Formula: | C7H5F2NO3 |
Canonical SMILES: | COC1=C(C(=C(C=C1)[N+](=O)[O-])F)F |
InChI: | InChI=1S/C7H5F2NO3/c1-13-5-3-2-4(10(11)12)6(8)7(5)9/h2-3H,1H3 |
InChI Key: | KDXIYOKCZFOFOR-UHFFFAOYSA-N |
Appearance: | Off-white crystalline powder |
LogP: | 2.40480 |
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 |
WO-2020069330-A2 | Inhibitors of vap-1 | 20180928 |
CN-113164454-A | Inhibitors of VAP-1 | 20180928 |
EP-3856176-A2 | Inhibitors of vap-1 | 20180928 |
CA-3058588-A1 | Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders | 20170331 |
CN-110678458-A | Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders | 20170331 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.02374935 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.02374935 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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