2,3-Dichloro-4-fluoronitrobenzene - CAS 36556-51-1
Catalog: |
BB023004 |
Product Name: |
2,3-Dichloro-4-fluoronitrobenzene |
CAS: |
36556-51-1 |
Synonyms: |
2,3-dichloro-1-fluoro-4-nitrobenzene; 2,3-dichloro-1-fluoro-4-nitrobenzene |
IUPAC Name: | 2,3-dichloro-1-fluoro-4-nitrobenzene |
Description: | 2,3-Dichloro-4-fluoronitrobenzene (CAS# 36556-51-1) is a useful research chemical. |
Molecular Weight: | 209.99 |
Molecular Formula: | C6H2Cl2FNO2 |
Canonical SMILES: | C1=CC(=C(C(=C1[N+](=O)[O-])Cl)Cl)F |
InChI: | InChI=1S/C6H2Cl2FNO2/c7-5-3(9)1-2-4(6(5)8)10(11)12/h1-2H |
InChI Key: | QWQJCMSWGFVURH-UHFFFAOYSA-N |
Boiling Point: | 265.7 °C at 760 mmHg |
Density: | 1.622 g/cm3 |
LogP: | 3.56390 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110642720-A | Preparation method of 2, 4-difluoro-3, 5-dichloronitrobenzene | 20191012 |
US-2020048249-A1 | Ptpn11 inhibitors | 20180810 |
WO-2020033828-A1 | 6-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4(3h)-one derivatives and related compounds as ptpn11 (shp2) inhibitors for treating cancer | 20180810 |
TW-202019900-A | PTPN11 inhibitor | 20180810 |
CN-112601750-A | 6- (4-amino-3-methyl-2-oxa-8-azaspiro [4.5] decan-8-yl) -3- (2, 3-dichlorophenyl) -2-methylpyrimidin-4 (3H) -one derivatives and related compounds as PTPN11(SHP2) inhibitors for the treatment of cancer | 20180810 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.9446619 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.9446619 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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