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74048-10-5 | Benzonitrile, 3-(2-methyl-5-oxazolyl)-
CAS No: 74048-10-5 Catalog No: AG008P6U MDL No:
Product Description
Catalog Number:
AG008P6U
Chemical Name:
Benzonitrile, 3-(2-methyl-5-oxazolyl)-
CAS Number:
74048-10-5
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
3-(2-methyl-1,3-oxazol-5-yl)benzonitrile
InChI:
InChI=1S/C11H8N2O/c1-8-13-7-11(14-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3
InChI Key:
RUHONOASDPNPFI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cnc(o1)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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