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156496-85-4 | 7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-
CAS No: 156496-85-4 Catalog No: AG001OQX MDL No:
Product Description
Catalog Number:
AG001OQX
Chemical Name:
7H-Pyrano[4,3-d]isoxazol-7-one, 3-(2,6-dichlorophenyl)-4,5-dihydro-
CAS Number:
156496-85-4
Molecular Formula:
C12H7Cl2NO3
Molecular Weight:
284.0949
IUPAC Name:
3-(2,6-dichlorophenyl)-4,5-dihydropyrano[4,3-d][1,2]oxazol-7-one
InChI:
InChI=1S/C12H7Cl2NO3/c13-7-2-1-3-8(14)9(7)10-6-4-5-17-12(16)11(6)18-15-10/h1-3H,4-5H2
InChI Key:
FXKASTGMEAESIO-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1c1noc2c1CCOC2=O)Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.092g/mol
Monoisotopic Mass:
282.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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