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91182-77-3 | 4-Isoxazolecarbonylchloride, 3-methyl-5-phenyl-
CAS No: 91182-77-3 Catalog No: AG006Q75 MDL No:
Product Description
Catalog Number:
AG006Q75
Chemical Name:
4-Isoxazolecarbonylchloride, 3-methyl-5-phenyl-
CAS Number:
91182-77-3
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
IUPAC Name:
3-methyl-5-phenyl-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(15-13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
YVFYIVAJRVFJHR-UHFFFAOYSA-N
SMILES:
ClC(=O)c1c(C)noc1c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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