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Fluorescent Brightener Ob-2

CAT: 1299-RG-F030008-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-F030008-01Size:10 mg
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CAS Number
2397-00-4
Synonyms
1,2-bis (4- (5-methylbenzo[d]oxazol-2-yl) phenyl) ethene
Molecular Formula
C30H22N2O2
Molecular Weight
442.52
Product Name Synonym
1,2-bis (4- (5-methylbenzo[d]oxazol-2-yl) phenyl) ethene

Chemical Information

5-Methyl-2-[4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole

See also: 4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene (annotation moved to).

CAS Number2397-00-4
PubChem CID102253
IUPAC Name5-methyl-2-[4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Molecular FormulaC30H22N2O2
Molecular Weight442.5
XLogP7.9
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity638
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=C(O5)C=CC(=C6)C
InChI
InChI=1S/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3
InChIKey
OKEZAUMKBWTTCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-2-[4-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CAS: 2397-00-4
CID: 102253
Formula: C30H22N2O2
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass442.168127949
Monoisotopic Mass442.168127949
Topological Polar Surface Area52.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes