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200880-45-1 | Benzonitrile, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS No: 200880-45-1 Catalog No: AG002D24 MDL No:
Product Description
Catalog Number:
AG002D24
Chemical Name:
Benzonitrile, 4-(5-methyl-1,2,4-oxadiazol-3-yl)-
CAS Number:
200880-45-1
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
IUPAC Name:
4-(5-methyl-1,2,4-oxadiazol-3-yl)benzonitrile
InChI:
InChI=1S/C10H7N3O/c1-7-12-10(13-14-7)9-4-2-8(6-11)3-5-9/h2-5H,1H3
InChI Key:
DILHKCVXZZTARQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1noc(n1)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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