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125421-44-5 | 7-Benzoxazoleacetonitrile, 2-phenyl-
CAS No: 125421-44-5 Catalog No: AG000NOF MDL No:
Product Description
Catalog Number:
AG000NOF
Chemical Name:
7-Benzoxazoleacetonitrile, 2-phenyl-
CAS Number:
125421-44-5
Molecular Formula:
C15H10N2O
Molecular Weight:
234.2527
IUPAC Name:
2-(2-phenyl-1,3-benzoxazol-7-yl)acetonitrile
InChI:
InChI=1S/C15H10N2O/c16-10-9-11-7-4-8-13-14(11)18-15(17-13)12-5-2-1-3-6-12/h1-8H,9H2
InChI Key:
ANUMNTJFNFULDP-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1oc(n2)c1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.258g/mol
Monoisotopic Mass:
234.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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