6-methyl-2-(triphenylmethyl)-2,3-dihydro-1,2-benzoxazol-3-one - CAS 947408-94-8
Catalog: |
BB041481 |
Product Name: |
6-methyl-2-(triphenylmethyl)-2,3-dihydro-1,2-benzoxazol-3-one |
CAS: |
947408-94-8 |
Synonyms: |
6-methyl-2-(triphenylmethyl)-1,2-benzoxazol-3-one; 6-methyl-2-trityl-1,2-benzoxazol-3-one |
IUPAC Name: | 6-methyl-2-trityl-1,2-benzoxazol-3-one |
Description: | 6-methyl-2-(triphenylmethyl)-2,3-dihydro-1,2-benzoxazol-3-one (CAS# 947408-94-8 ) is a useful research chemical. |
Molecular Weight: | 391.47 |
Molecular Formula: | C27H21NO2 |
Canonical SMILES: | CC1=CC2=C(C=C1)C(=O)N(O2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5 |
InChI: | InChI=1S/C27H21NO2/c1-20-17-18-24-25(19-20)30-28(26(24)29)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3 |
InChI Key: | ZGOPFQFYMMXHRJ-UHFFFAOYSA-N |
LogP: | 5.74310 |
Publication Number | Title | Priority Date |
AU-2007268771-B2 | Novel crystal of 3-[5-[4-(cyclopentyloxy)-2- hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6- yl)methoxy]phenyl]propionic acid | 20060526 |
BR-PI0712909-A2 | 3- [5- [4- (cyclopentyloxy) 2-hydroxybenzoyl] -2 - [(3-hydroxy-1,2-benzisoxazol-6-yl) methoxy] phenyl] propionic acid crystal | 20060526 |
CA-2652939-A1 | Novel crystal of 3-[5-[4-(cyclopentyloxy)-2- hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionic acid | 20060526 |
EP-2022788-A1 | Novel crystal of 3-ý5-ý4-(cyclopentyloxy)-2- hydroxybenzoyl¨-2-ý(3-hydroxy-1,2-benzisoxazol-6- yl)methoxy¨phenyl¨propionic acid | 20060526 |
EP-2022788-B1 | Novel crystal of 3-[5-[4-(cyclopentyloxy)-2- hydroxybenzoyl]-2-[(3-hydroxy-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionic acid | 20060526 |
Complexity: | 540 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 391.157228913 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 391.157228913 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.4 |
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Related Functional Groups
Benzoxazole/Benzothiazole
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