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Fluorescent Whitening Agent Kcb

CAT: 0127-OR1030451-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030451-01Size:25 g
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CAS Number
63310-10-1
Synonyms
2-[4- (1,3-benzoxazol-2-yl) naphthalen-1-yl]-1,3-benzoxazole
Purity
98%
Smiles
C1=CC=C2C(=C1)C(=CC=C2C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5

Chemical Information

Fluorescent brightener 367
CAS Number63310-10-1
PubChem CID78769
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-1,3-benzoxazole
Molecular FormulaC24H14N2O2
Molecular Weight362.4
XLogP6.2
Topological Polar Surface Area52.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity509
SMILES
C1=CC=C2C(=C1)C(=CC=C2C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5
InChI
InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H
InChIKey
WFYSPVCBIJCZPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fluorescent brightener 367
CAS: 63310-10-1
CID: 78769
Formula: C24H14N2O2
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass362.105527694
Monoisotopic Mass362.105527694
Topological Polar Surface Area52.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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