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137426-83-6 | 2-Benzoxazolecarbonitrile, 7-methyl-
CAS No: 137426-83-6 Catalog No: AG00A3RF MDL No:
Product Description
Catalog Number:
AG00A3RF
Chemical Name:
2-Benzoxazolecarbonitrile, 7-methyl-
CAS Number:
137426-83-6
IUPAC Name:
7-methyl-1,3-benzoxazole-2-carbonitrile
InChI:
InChI=1S/C9H6N2O/c1-6-3-2-4-7-9(6)12-8(5-10)11-7/h2-4H,1H3
InChI Key:
LRRWUNAPTPQVDP-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:
2.2
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