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1955506-71-4 | 3-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
CAS No: 1955506-71-4 Catalog No: AG01C12C MDL No:MFCD29991256
Product Description
Catalog Number:
AG01C12C
Chemical Name:
3-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
CAS Number:
1955506-71-4
Molecular Formula:
C11H11ClN2O4S
Molecular Weight:
302.7340
MDL Number:
MFCD29991256
IUPAC Name:
3-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
InChI:
InChI=1S/C11H11ClN2O4S/c12-19(15,16)8-5-9-10(7-1-3-17-4-2-7)14-18-11(9)13-6-8/h5-7H,1-4H2
InChI Key:
BDIARBSGLJBGPC-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cnc2c(c1)c(no2)C1CCOCC1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.729g/mol
Monoisotopic Mass:
302.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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