4-Fluoro-2-isopropoxy-1-nitrobenzene - CAS 28987-46-4
Catalog: |
BB020036 |
Product Name: |
4-Fluoro-2-isopropoxy-1-nitrobenzene |
CAS: |
28987-46-4 |
Synonyms: |
4-fluoro-1-nitro-2-propan-2-yloxybenzene; 4-fluoro-1-nitro-2-propan-2-yloxybenzene |
IUPAC Name: | 4-fluoro-1-nitro-2-propan-2-yloxybenzene |
Description: | 4-Fluoro-2-isopropoxy-1-nitrobenzene (CAS# 28987-46-4) is a useful research chemical. |
Molecular Weight: | 199.18 |
Molecular Formula: | C9H10FNO3 |
Canonical SMILES: | CC(C)OC1=C(C=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C9H10FNO3/c1-6(2)14-9-5-7(10)3-4-8(9)11(12)13/h3-6H,1-2H3 |
InChI Key: | SLRNETDLLJMLMR-UHFFFAOYSA-N |
LogP: | 3.04430 |
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 |
CN-107216319-B | 2, 4-diaminopyrimidine derivative, preparation method and application thereof | 20160321 |
US-10370372-B2 | Fused pyrimidine compound or salt thereof | 20151127 |
US-2018312505-A1 | Fused pyrimidine compound or salt thereof | 20151127 |
WO-2017090719-A1 | Condensed pyrimidine compound or salt thereof | 20151127 |
AU-2016349089-A1 | Pyrimidine derivative and use thereof | 20151105 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06447134 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06447134 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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