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408538-64-7 | 2-methylbenzo[d]oxazole-4-carbonitrile
CAS No: 408538-64-7 Catalog No: AG00CKGJ MDL No:
Product Description
Catalog Number:
AG00CKGJ
Chemical Name:
2-methylbenzo[d]oxazole-4-carbonitrile
CAS Number:
408538-64-7
IUPAC Name:
2-methyl-1,3-benzoxazole-4-carbonitrile
InChI:
InChI=1S/C9H6N2O/c1-6-11-9-7(5-10)3-2-4-8(9)12-6/h2-4H,1H3
InChI Key:
ONZPZARTDCGQBO-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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