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126590-72-5 | 5-Oxazolecarbonyl chloride, 2-furo[2,3-f]-1,3-benzodioxol-6-yl-
CAS No: 126590-72-5 Catalog No: AG000SZT MDL No:
Product Description
Catalog Number:
AG000SZT
Chemical Name:
5-Oxazolecarbonyl chloride, 2-furo[2,3-f]-1,3-benzodioxol-6-yl-
CAS Number:
126590-72-5
Molecular Formula:
C13H6ClNO5
Molecular Weight:
291.6434
IUPAC Name:
2-furo[2,3-f][1,3]benzodioxol-6-yl-1,3-oxazole-5-carbonyl chloride
InChI:
InChI=1S/C13H6ClNO5/c14-12(16)11-4-15-13(20-11)10-2-6-1-8-9(18-5-17-8)3-7(6)19-10/h1-4H,5H2
InChI Key:
NFWMHESKKCXUTH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cnc(o1)c1oc2c(c1)cc1c(c2)OCO1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.993g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.643g/mol
Monoisotopic Mass:
290.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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