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144272-76-4 | 4-Isoxazolecarbonyl chloride, 5-ethyl-3-methyl-
CAS No: 144272-76-4 Catalog No: AG001J7A MDL No:
Product Description
Catalog Number:
AG001J7A
Chemical Name:
4-Isoxazolecarbonyl chloride, 5-ethyl-3-methyl-
CAS Number:
144272-76-4
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
IUPAC Name:
5-ethyl-3-methyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C7H8ClNO2/c1-3-5-6(7(8)10)4(2)9-11-5/h3H2,1-2H3
InChI Key:
JUMFSGYIYPQZIC-UHFFFAOYSA-N
SMILES:
CCc1onc(c1C(=O)Cl)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.596g/mol
Monoisotopic Mass:
173.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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