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88958-31-0 | 3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)-
CAS No: 88958-31-0 Catalog No: AG0046JW MDL No:
Product Description
Catalog Number:
AG0046JW
Chemical Name:
3-Isoxazolecarbonyl chloride, 5-(3-methoxyphenyl)-
CAS Number:
88958-31-0
Molecular Formula:
C11H8ClNO3
Molecular Weight:
237.6391
IUPAC Name:
5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C11H8ClNO3/c1-15-8-4-2-3-7(5-8)10-6-9(11(12)14)13-16-10/h2-6H,1H3
InChI Key:
ZJAQJQKYFHIIKR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1onc(c1)C(=O)Cl
Properties
Complexity:
262
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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