5-Amino-2,3-dihydro-1,3-benzoxazol-2-one - CAS 14733-77-8
Catalog: |
BB010185 |
Product Name: |
5-Amino-2,3-dihydro-1,3-benzoxazol-2-one |
CAS: |
14733-77-8 |
Synonyms: |
5-amino-3H-1,3-benzoxazol-2-one; 5-amino-3H-1,3-benzoxazol-2-one |
IUPAC Name: | 5-amino-3H-1,3-benzoxazol-2-one |
Description: | 5-Amino-2,3-dihydro-1,3-benzoxazol-2-one (CAS# 14733-77-8) is used in preparation of Pyridazinone derivatives as Nav1.1 activator. |
Molecular Weight: | 150.13 |
Molecular Formula: | C7H6N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1N)NC(=O)O2 |
InChI: | InChI=1S/C7H6N2O2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,8H2,(H,9,10) |
InChI Key: | GJXXUHGUCBUXSL-UHFFFAOYSA-N |
Density: | 1.438 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD00474884 |
LogP: | 1.28450 |
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 |
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Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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