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92552-31-3 | 5-BENZYL-2-METHYLBENZOXAZOLE
CAS No: 92552-31-3 Catalog No: AG006H35 MDL No:
Product Description
Catalog Number:
AG006H35
Chemical Name:
5-BENZYL-2-METHYLBENZOXAZOLE
CAS Number:
92552-31-3
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
5-benzyl-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO/c1-11-16-14-10-13(7-8-15(14)17-11)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChI Key:
QJPSBMDBZCLZKY-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)cc(cc2)Cc1ccccc1
EC Number:
296-361-9
NSC Number:
120633
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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