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99803-82-4 | 4-Isoxazolecarbonylchloride, 5-ethyl-
CAS No: 99803-82-4 Catalog No: AG003W7S MDL No:MFCD13173620
Product Description
Catalog Number:
AG003W7S
Chemical Name:
4-Isoxazolecarbonylchloride, 5-ethyl-
CAS Number:
99803-82-4
Molecular Formula:
C6H6ClNO2
Molecular Weight:
159.5703
MDL Number:
MFCD13173620
IUPAC Name:
5-ethyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C6H6ClNO2/c1-2-5-4(6(7)9)3-8-10-5/h3H,2H2,1H3
InChI Key:
RFXIFHIHWYTKIG-UHFFFAOYSA-N
SMILES:
CCc1oncc1C(=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:
1.7
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