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175277-77-7 | Benzonitrile, 3-[(2-oxo-3(2H)-benzoxazolyl)methyl]-
CAS No: 175277-77-7 Catalog No: AG0020T3 MDL No:MFCD00204240
Product Description
Catalog Number:
AG0020T3
Chemical Name:
Benzonitrile, 3-[(2-oxo-3(2H)-benzoxazolyl)methyl]-
CAS Number:
175277-77-7
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
MDL Number:
MFCD00204240
IUPAC Name:
3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
InChI:
InChI=1S/C15H10N2O2/c16-9-11-4-3-5-12(8-11)10-17-13-6-1-2-7-14(13)19-15(17)18/h1-8H,10H2
InChI Key:
GZGXPVQBWUZVQJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Cn1c(=O)oc2c1cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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