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890095-73-5 | 3-(4-Methoxyphenyl)-5-isoxazolecarbonyl chloride
CAS No: 890095-73-5 Catalog No: AG00JAG5 MDL No:MFCD08445351
Product Description
Catalog Number:
AG00JAG5
Chemical Name:
3-(4-Methoxyphenyl)-5-isoxazolecarbonyl chloride
CAS Number:
890095-73-5
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
MDL Number:
MFCD08445351
IUPAC Name:
3-(4-methoxyphenyl)-1,2-oxazole-5-carbonyl chloride
InChI:
InChI=1S/C11H8ClNO3/c1-15-8-4-2-7(3-5-8)9-6-10(11(12)14)16-13-9/h2-6H,1H3
InChI Key:
SVNFUGYQZCPPKJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)C(=O)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.639g/mol
Monoisotopic Mass:
237.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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