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88958-34-3 | 3-Isoxazolecarbonylchloride, 5-(2-thienyl)-
CAS No: 88958-34-3 Catalog No: AG0046R0 MDL No:
Product Description
Catalog Number:
AG0046R0
Chemical Name:
3-Isoxazolecarbonylchloride, 5-(2-thienyl)-
CAS Number:
88958-34-3
Molecular Formula:
C8H4ClNO2S
Molecular Weight:
213.6409
IUPAC Name:
5-thiophen-2-yl-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C8H4ClNO2S/c9-8(11)5-4-6(12-10-5)7-2-1-3-13-7/h1-4H
InChI Key:
XLRLTECXQKLWBV-UHFFFAOYSA-N
SMILES:
ClC(=O)c1noc(c1)c1cccs1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.635g/mol
Monoisotopic Mass:
212.965g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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