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Home > Nitro Compounds > 144290-89-1
144290-89-1 | 1,2-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-(2-nitrophenyl)-
CAS No: 144290-89-1 Catalog No: AG001J8P MDL No:
Product Description
Catalog Number:
AG001J8P
Chemical Name:
1,2-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-(2-nitrophenyl)-
CAS Number:
144290-89-1
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
3-(2-nitrophenyl)-6,7-dihydro-5H-1,2-benzoxazol-4-one
InChI:
InChI=1S/C13H10N2O4/c16-10-6-3-7-11-12(10)13(14-19-11)8-4-1-2-5-9(8)15(17)18/h1-2,4-5H,3,6-7H2
InChI Key:
GEUUYJJWODKICD-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1c(no2)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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