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99298-90-5 | 4-Isoxazolecarbonyl chloride, 3-ethyl-5-methyl-
CAS No: 99298-90-5 Catalog No: AG00IK9C MDL No:MFCD12197880
Product Description
Catalog Number:
AG00IK9C
Chemical Name:
4-Isoxazolecarbonyl chloride, 3-ethyl-5-methyl-
CAS Number:
99298-90-5
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
MDL Number:
MFCD12197880
IUPAC Name:
3-ethyl-5-methyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C7H8ClNO2/c1-3-5-6(7(8)10)4(2)11-9-5/h3H2,1-2H3
InChI Key:
IPTLCBNDPDQIRA-UHFFFAOYSA-N
SMILES:
CCc1noc(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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