2-Ethyl-4-fluoro-1-nitrobenzene - CAS 1089279-29-7
Catalog: |
BB002357 |
Product Name: |
2-Ethyl-4-fluoro-1-nitrobenzene |
CAS: |
1089279-29-7 |
Synonyms: |
2-ethyl-4-fluoro-1-nitrobenzene; 2-ethyl-4-fluoro-1-nitrobenzene |
IUPAC Name: | 2-ethyl-4-fluoro-1-nitrobenzene |
Description: | 2-Ethyl-4-fluoro-1-nitrobenzene (CAS# 1089279-29-7 ) is a useful research chemical. |
Molecular Weight: | 169.15 |
Molecular Formula: | C8H8FNO2 |
Canonical SMILES: | CCC1=C(C=CC(=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8FNO2/c1-2-6-5-7(9)3-4-8(6)10(11)12/h3-5H,2H2,1H3 |
InChI Key: | MQNMCCCUGXMTSZ-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.81950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110746307-A | Preparation method of 1-nitro-2-ethyl-4-fluorobenzene | 20191101 |
CN-110746307-B | Preparation method of 1-nitro-2-ethyl-4-fluorobenzene | 20191101 |
WO-2021082752-A1 | Preparation method for 1-nitro-2-ethyl-4-fluorobenzene | 20191101 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
CN-106687457-B | Heteroaryl compounds for kinase inhibition | 20140513 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.05390666 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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