CAS 833-50-1 2-Phenylbenzoxazole - Materials / Alfa Chemistry

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2-Phenylbenzoxazole

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Catalog Number

ACM833501-1

CAS Number

833-50-1

Product Name

2-Phenylbenzoxazole

Structure

Category

Ligands for Functional Metal Complexes

Synonyms

2-Phenylbenzo[d]oxazole; Benzoxazole, 2-phenyl-

IUPAC Name

2-phenyl-1,3-benzoxazole

Molecular Weight

195.22

Molecular Formula

C13H9NO

Canonical SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

InChI

FIISKTXZUZBTRC-UHFFFAOYSA-N

InChI Key

InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

Melting Point

102-104 °C-lit.

Appearance

Solid

Complexity

213

Covalently-Bonded Unit Count

Exact Mass

195.068413911

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

195.068413911

NSC Number

406946

Rotatable Bond Count

Topological Polar Surface Area

26 Å²

MSDS

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COA

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Spec Sheet

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