4-(Difluoromethoxy)nitrobenzene - CAS 1544-86-1
Catalog: |
BB011022 |
Product Name: |
4-(Difluoromethoxy)nitrobenzene |
CAS: |
1544-86-1 |
Synonyms: |
1-(difluoromethoxy)-4-nitrobenzene |
IUPAC Name: | 1-(difluoromethoxy)-4-nitrobenzene |
Description: | 4-(Difluoromethoxy)nitrobenzene (CAS# 1544-86-1) is a useful research chemical. |
Molecular Weight: | 189.12 |
Molecular Formula: | C7H5F2NO3 |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OC(F)F |
InChI: | InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-5(2-4-6)10(11)12/h1-4,7H |
InChI Key: | SVGGBARCOQPYMV-UHFFFAOYSA-N |
Boiling Point: | 108-110 °C (1.5 torr) |
Density: | 1.384 g/cm3 |
MDL: | MFCD00085009 |
LogP: | 2.71940 |
GHS Hazard Statement: | H302 (97.73%): 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-109071560-A | Thienopyridine formamide as ubiquitin-specific protease inhibitor | 20160212 |
CN-103819349-A | Preparation method of 4-(difluoromethoxy)aniline | 20140319 |
US-2015336866-A1 | Synthesis of difluoromethyl ethers and sulfides | 20130101 |
WO-2014107380-A1 | Synthesis of difluoromethyl ethers and sulfides | 20130101 |
TW-200930709-A | Inhibitors of the interaction between MDM2 and p53 | 20070921 |
Complexity: | 175 |
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: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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