4-(Chlorodifluoromethoxy)aniline - CAS 39065-95-7
Catalog: |
BB023831 |
Product Name: |
4-(Chlorodifluoromethoxy)aniline |
CAS: |
39065-95-7 |
Synonyms: |
4-[chloro(difluoro)methoxy]aniline; 4-[chloro(difluoro)methoxy]aniline |
IUPAC Name: | 4-[chloro(difluoro)methoxy]aniline |
Description: | 4-Chlorodifluoromethoxyaniline has been used as a reactant for the preparation of arylphthalazines as a potent and orally bioavailable inhibitor of VEGFR-2. |
Molecular Weight: | 193.58 |
Molecular Formula: | C7H6ClF2NO |
Canonical SMILES: | C1=CC(=CC=C1N)OC(F)(F)Cl |
InChI: | InChI=1S/C7H6ClF2NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2 |
InChI Key: | QDTUQGSYECRXDO-UHFFFAOYSA-N |
Boiling Point: | 231.9 ℃ at 760 mmHg |
Density: | 1.402 g/cm3 |
LogP: | 3.01790 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021143927-A1 | Compound acting as bcr-abl inhibitor | 20200119 |
WO-2021048567-A1 | New compounds and methods | 20190911 |
CN-112300129-A | Heterocyclic compounds as BCR-ABL inhibitors | 20190729 |
CN-112300130-A | Tricyclic compounds as BCR-ABL inhibitors | 20190729 |
WO-2021018194-A1 | Heterocyclic compounds as bcr-abl inhibitors | 20190729 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0105978 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0105978 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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Amines and Anilines
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