2-(Difluoromethoxy)aniline - CAS 22236-04-0
Catalog: |
BB017462 |
Product Name: |
2-(Difluoromethoxy)aniline |
CAS: |
22236-04-0 |
Synonyms: |
2-(difluoromethoxy)aniline |
IUPAC Name: | 2-(difluoromethoxy)aniline |
Description: | 2-(Difluoromethoxy)aniline (CAS# 22236-04-0) is a useful research chemical. |
Molecular Weight: | 159.13 |
Molecular Formula: | C7H7F2NO |
Canonical SMILES: | C1=CC=C(C(=C1)N)OC(F)F |
InChI: | InChI=1S/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2 |
InChI Key: | CGNAIUUCOVWLLL-UHFFFAOYSA-N |
Boiling Point: | 205 °C (lit.) |
Density: | 1.26 g/cm3 |
MDL: | MFCD00190104 |
LogP: | 2.45140 |
GHS Hazard Statement: | H302 (99.07%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021198020-A1 | 3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer | 20200331 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020216773-A1 | 4h-pyrrolo[3,2-c]pyridin-4-one compounds | 20190424 |
WO-2020216774-A1 | 4h-pyrrolo[3,2-c]pyridin-4-one derivatives | 20190424 |
WO-2020216781-A1 | 4h-pyrrolo[3,2-c]pyridin-4-one compounds | 20190424 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.04957017 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.04957017 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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