5-Aminobenzoxazole - CAS 63837-12-7
Catalog: |
BB032298 |
Product Name: |
5-Aminobenzoxazole |
CAS: |
63837-12-7 |
Synonyms: |
1,3-benzoxazol-5-amine; 1,3-benzoxazol-5-amine |
IUPAC Name: | 1,3-benzoxazol-5-amine |
Description: | 5-Aminobenzoxazole (CAS# 63837-12-7) is a useful research chemical compound. |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | C1=CC2=C(C=C1N)N=CO2 |
InChI: | InChI=1S/C7H6N2O/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2 |
InChI Key: | IAWQUHCVFXQBMC-UHFFFAOYSA-N |
Boiling Point: | 282.3 °C at 760 mmHg |
Density: | 1.317 g/cm3 |
MDL: | MFCD05256201 |
LogP: | 1.99120 |
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 |
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Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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