2-(Trifluoromethyl)-1,3-benzoxazol-6-amine - CAS 1039334-81-0
Catalog: |
BB057188 |
Product Name: |
2-(Trifluoromethyl)-1,3-benzoxazol-6-amine |
CAS: |
1039334-81-0 |
Synonyms: |
2-(Trifluoromethyl)-6-benzoxazolamine |
IUPAC Name: | 2-(trifluoromethyl)-1,3-benzoxazol-6-amine |
Description: | 2-(trifluoromethyl)-1,3-benzoxazol-6-amine (cas# 1039334-81-0) is a useful research chemical. It is used in the preparation of quinazolines and related compounds for increasing transcription factor EB polypeptide levels. |
Molecular Weight: | 202.13 |
Molecular Formula: | C8H5N2OF3 |
Canonical SMILES: | C1=CC2=C(C=C1N)OC(=N2)C(F)(F)F |
InChI: | InChI=1S/C8H5F3N2O/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2 |
InChI Key: | DVJYDMBFNPMEFB-UHFFFAOYSA-N |
References: | Chen, B., et al. PCT Int. Appl. (2020), WO 2020142748 A1 20200709. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.03539727 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.03539727 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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