2-Chloro-5-methoxybenzoxazole - CAS 49559-34-4
Catalog: |
BB026729 |
Product Name: |
2-Chloro-5-methoxybenzoxazole |
CAS: |
49559-34-4 |
Synonyms: |
2-chloro-5-methoxy-1,3-benzoxazole; 2-chloro-5-methoxy-1,3-benzoxazole |
IUPAC Name: | 2-chloro-5-methoxy-1,3-benzoxazole |
Description: | 2-Chloro-5-methoxybenzoxazole (CAS# 49559-34-4 ) is a useful research chemical. |
Molecular Weight: | 183.59 |
Molecular Formula: | C8H6ClNO2 |
Canonical SMILES: | COC1=CC2=C(C=C1)OC(=N2)Cl |
InChI: | InChI=1S/C8H6ClNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3 |
InChI Key: | BRENVJPPZRBCPU-UHFFFAOYSA-N |
Boiling Point: | 251 ℃ at 760 mmHg |
Density: | 1.354 g/cm3 |
LogP: | 2.48980 |
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: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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