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88958-29-6 | 3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)-
CAS No: 88958-29-6 Catalog No: AG0046R1 MDL No:
Product Description
Catalog Number:
AG0046R1
Chemical Name:
3-Isoxazolecarbonyl chloride, 5-(4-methylphenyl)-
CAS Number:
88958-29-6
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
IUPAC Name:
5-(4-methylphenyl)-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C11H8ClNO2/c1-7-2-4-8(5-3-7)10-6-9(11(12)14)13-15-10/h2-6H,1H3
InChI Key:
RUHVRHLQRIOIEQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1onc(c1)C(=O)Cl
Properties
Complexity:
239
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:
3.2
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