2-(difluoromethoxy)naphthalene-1-carbaldehyde - CAS 80395-32-0
Catalog: |
BB036495 |
Product Name: |
2-(difluoromethoxy)naphthalene-1-carbaldehyde |
CAS: |
80395-32-0 |
Synonyms: |
2-(difluoromethoxy)-1-naphthalenecarboxaldehyde; 2-(difluoromethoxy)naphthalene-1-carbaldehyde |
IUPAC Name: | 2-(difluoromethoxy)naphthalene-1-carbaldehyde |
Description: | 2-(difluoromethoxy)naphthalene-1-carbaldehyde (CAS# 80395-32-0) is a useful research chemical. |
Molecular Weight: | 222.191 |
Molecular Formula: | C12H8F2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=CC(=C2C=O)OC(F)F |
InChI: | InChI=1S/C12H8F2O2/c13-12(14)16-11-6-5-8-3-1-2-4-9(8)10(11)7-15/h1-7,12H |
InChI Key: | KHYFVIYUNAEOHW-UHFFFAOYSA-N |
LogP: | 3.25370 |
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 |
CA-2925084-A1 | Tetrahydro-benzodiazepinones | 20131118 |
CN-106029650-A | Tetrahydro-benzodiazepinones | 20131118 |
CN-106029650-B | Tetrahydro-benzodiazepine * ketone | 20131118 |
EP-3071562-A1 | Tetrahydro-benzodiazepinones | 20131118 |
JP-2016538340-A | Tetrahydro-benzodiazepinones | 20131118 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.04923582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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