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Home > Nitro Compounds > 29245-51-0
29245-51-0 | 2,1-Benzisoxazole, 4,6-dinitro-
CAS No: 29245-51-0 Catalog No: AG002XU5 MDL No:
Product Description
Catalog Number:
AG002XU5
Chemical Name:
2,1-Benzisoxazole, 4,6-dinitro-
CAS Number:
29245-51-0
Molecular Formula:
C7H3N3O5
Molecular Weight:
209.1158
IUPAC Name:
4,6-dinitro-2,1-benzoxazole
InChI:
InChI=1S/C7H3N3O5/c11-9(12)4-1-6-5(3-15-8-6)7(2-4)10(13)14/h1-3H
InChI Key:
SNGQABUPINYZFA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2nocc2c(c1)[N+](=O)[O-]
NSC Number:
76676
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.117g/mol
Monoisotopic Mass:
209.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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