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7420-86-2 | Benzoxazole,5-methyl-2-phenyl-
CAS No: 7420-86-2 Catalog No: AG005MVO MDL No:
Product Description
Catalog Number:
AG005MVO
Chemical Name:
Benzoxazole,5-methyl-2-phenyl-
CAS Number:
7420-86-2
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
5-methyl-2-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C14H11NO/c1-10-7-8-13-12(9-10)15-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
RDBLNMQDEWOUIB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc(o2)c1ccccc1
EC Number:
231-040-9
UNII:
51X3IK0GBZ
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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