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139297-40-8 | 3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-
CAS No: 139297-40-8 Catalog No: AG001AOM MDL No:
Product Description
Catalog Number:
AG001AOM
Chemical Name:
3-Isoxazolecarboxamide, 5-(chloromethyl)-N-(2,6-dimethylphenyl)-
CAS Number:
139297-40-8
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
5-(chloromethyl)-N-(2,6-dimethylphenyl)-2H-1,3-oxazole-3-carboxamide
InChI:
InChI=1S/C13H15ClN2O2/c1-9-4-3-5-10(2)12(9)15-13(17)16-7-11(6-14)18-8-16/h3-5,7H,6,8H2,1-2H3,(H,15,17)
InChI Key:
HARKYXYYQNSUAO-UHFFFAOYSA-N
SMILES:
ClCc1onc(c1)C(=O)Nc1c(C)cccc1C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.725g/mol
Monoisotopic Mass:
266.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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