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1026573-04-5 | 1,3,4-Oxadiazole, 2-[(3-methylphenyl)methyl]-
CAS No: 1026573-04-5 Catalog No: AG000811 MDL No:MFCD16877053
Product Description
Catalog Number:
AG000811
Chemical Name:
1,3,4-Oxadiazole, 2-[(3-methylphenyl)methyl]-
CAS Number:
1026573-04-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD16877053
IUPAC Name:
2-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
InChI:
InChI=1S/C10H10N2O/c1-8-3-2-4-9(5-8)6-10-12-11-7-13-10/h2-5,7H,6H2,1H3
InChI Key:
TVHIAQSXFHMUMD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Cc1nnco1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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