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76524-98-6 | Benzoxazole, 2-methyl-7-phenyl-
CAS No: 76524-98-6 Catalog No: AG005BL6 MDL No:
Product Description
Catalog Number:
AG005BL6
Chemical Name:
Benzoxazole, 2-methyl-7-phenyl-
CAS Number:
76524-98-6
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
2-methyl-7-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C14H11NO/c1-10-15-13-9-5-8-12(14(13)16-10)11-6-3-2-4-7-11/h2-9H,1H3
InChI Key:
KIBYTVKTBFZBJE-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)c(ccc2)c1ccccc1
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
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