3,5-Dichloro-1,2-benzoxazole - CAS 16263-53-9
Catalog: |
BB011889 |
Product Name: |
3,5-Dichloro-1,2-benzoxazole |
CAS: |
16263-53-9 |
Synonyms: |
3,5-dichloro-1,2-benzoxazole; 3,5-dichloro-1,2-benzoxazole |
IUPAC Name: | 3,5-dichloro-1,2-benzoxazole |
Description: | 3,5-Dichloro-1,2-benzoxazole (CAS# 16263-53-9) is a useful research chemical. |
Molecular Weight: | 188.01 |
Molecular Formula: | C7H3Cl2NO |
Canonical SMILES: | C1=CC2=C(C=C1Cl)C(=NO2)Cl |
InChI: | InChI=1S/C7H3Cl2NO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H |
InChI Key: | PJMDBZXSQGQSDQ-UHFFFAOYSA-N |
LogP: | 3.13460 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2013283511-A1 | 3-O-heteroaryl-ingenol | 20120626 |
CA-2875461-A1 | 3-o-heteroaryl-ingenol | 20120626 |
DK-2864290-T3 | 3-O-heteroaryl INGENOL | 20120626 |
EP-2864290-A2 | 3-o-heteroaryl-ingenol | 20120626 |
EP-2864290-B1 | 3-o-heteroaryl-ingenol | 20120626 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.9591691 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.9591691 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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