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838-33-5 | Benzonitrile,4-(2-benzoxazolyl)-
CAS No: 838-33-5 Catalog No: AG008I0L MDL No:
Product Description
Catalog Number:
AG008I0L
Chemical Name:
Benzonitrile,4-(2-benzoxazolyl)-
CAS Number:
838-33-5
Molecular Formula:
C14H8N2O
Molecular Weight:
220.2261
IUPAC Name:
4-(1,3-benzoxazol-2-yl)benzonitrile
InChI:
InChI=1S/C14H8N2O/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
InChI Key:
MAFVYWAFXVNAIJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2c(o1)cccc2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.231g/mol
Monoisotopic Mass:
220.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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