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127810-07-5 | 3H-1,2,3,5-Oxathiadiazole, 4-[(5-chloro-2-naphthalenyl)methyl]-, 2-oxide
CAS No: 127810-07-5 Catalog No: AG000XFU MDL No:
Product Description
Catalog Number:
AG000XFU
Chemical Name:
3H-1,2,3,5-Oxathiadiazole, 4-[(5-chloro-2-naphthalenyl)methyl]-, 2-oxide
CAS Number:
127810-07-5
Molecular Formula:
C12H9ClN2O2S
Molecular Weight:
280.7301
IUPAC Name:
4-[(5-chloronaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
InChI:
InChI=1S/C12H9ClN2O2S/c13-11-3-1-2-9-6-8(4-5-10(9)11)7-12-14-17-18(16)15-12/h1-6H,7H2,(H,14,15)
InChI Key:
AFSHNJLKCYAWRX-UHFFFAOYSA-N
SMILES:
O=S1ON=C(N1)Cc1ccc2c(c1)cccc2Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.726g/mol
Monoisotopic Mass:
280.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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