2-(Difluoromethoxy)benzaldehyde - CAS 71653-64-0
Catalog: |
BB034445 |
Product Name: |
2-(Difluoromethoxy)benzaldehyde |
CAS: |
71653-64-0 |
Synonyms: |
2-(difluoromethoxy)benzaldehyde |
IUPAC Name: | 2-(difluoromethoxy)benzaldehyde |
Description: | 2-(Difluoromethoxy)benzaldehyde (CAS# 71653-64-0) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)OC(F)F |
InChI: | InChI=1S/C8H6F2O2/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-5,8H |
InChI Key: | QPBNHDFPMRENBC-UHFFFAOYSA-N |
Boiling Point: | 56 ℃ (0.1 torr) |
Purity: | 95 % |
Density: | 1.3 g/cm3 |
MDL: | MFCD00042251 |
LogP: | 2.10050 |
GHS Hazard Statement: | H302 (12.5%): 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 |
WO-2021170600-A1 | Pyrrolopyridine and imidazopyridine antiviral compounds | 20200224 |
US-2021188827-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
WO-2020211872-A1 | Fxr small molecule agonist and preparation method therefor and use thereof | 20190419 |
WO-2020156323-A1 | Immunomodulators, compositions and methods thereof | 20190131 |
WO-2019052557-A1 | Μ-OPIOID RECEPTOR AGONIST, ITS PREPARATION METHOD AND USE IN MEDICINE | 20170918 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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