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80173-67-7 | 5-Isoxazolecarbonylchloride, 3-ethyl-
CAS No: 80173-67-7 Catalog No: AG005O29 MDL No:
Product Description
Catalog Number:
AG005O29
Chemical Name:
5-Isoxazolecarbonylchloride, 3-ethyl-
CAS Number:
80173-67-7
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
IUPAC Name:
3-ethyl-1,2-oxazole-5-carbonyl chloride
InChI:
InChI=1S/C6H6ClNO2/c1-2-4-3-5(6(7)9)10-8-4/h3H,2H2,1H3
InChI Key:
VEQKLNJBUGWJPV-UHFFFAOYSA-N
SMILES:
CCc1noc(c1)C(=O)Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.009g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.569g/mol
Monoisotopic Mass:
159.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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