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88958-32-1 | 3-Isoxazolecarbonyl chloride, 5-(2-pyridinyl)-
CAS No: 88958-32-1 Catalog No: AG0047SW MDL No:
Product Description
Catalog Number:
AG0047SW
Chemical Name:
3-Isoxazolecarbonyl chloride, 5-(2-pyridinyl)-
CAS Number:
88958-32-1
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
IUPAC Name:
5-pyridin-2-yl-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C9H5ClN2O2/c10-9(13)7-5-8(14-12-7)6-3-1-2-4-11-6/h1-5H
InChI Key:
ZYUPXQSXFYFWJB-UHFFFAOYSA-N
SMILES:
ClC(=O)c1noc(c1)c1ccccn1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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