5-Methoxybenzoxazole - CAS 132227-03-3
Catalog: |
BB007565 |
Product Name: |
5-Methoxybenzoxazole |
CAS: |
132227-03-3 |
Synonyms: |
5-methoxy-1,3-benzoxazole; 5-methoxy-1,3-benzoxazole |
IUPAC Name: | 5-methoxy-1,3-benzoxazole |
Description: | 5-Methoxybenzoxazole (CAS# 132227-03-3) is a useful research chemical. |
Molecular Weight: | 149.15 |
Molecular Formula: | C8H7NO2 |
Canonical SMILES: | COC1=CC2=C(C=C1)OC=N2 |
InChI: | InChI=1S/C8H7NO2/c1-10-6-2-3-8-7(4-6)9-5-11-8/h2-5H,1H3 |
InChI Key: | IQQKXTVYGHYXFX-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11111707 |
LogP: | 1.83640 |
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 |
WO-2020153434-A1 | Pyrazole compound | 20190125 |
TW-202045506-A | Pyrazole compounds | 20190125 |
WO-2020153433-A1 | Substituent-including urea compound | 20190124 |
TW-202043239-A | Urea compounds with substituents | 20190124 |
CN-113382767-A | Substituted urea compounds | 20190124 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.047678466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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