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4693-02-1 | 5-Nitroisatoic Anhydride
CAS No: 4693-02-1 Catalog No: AG003MXC MDL No:MFCD00023891
Product Description
Catalog Number:
AG003MXC
Chemical Name:
5-Nitroisatoic Anhydride
CAS Number:
4693-02-1
Molecular Formula:
C8H4N2O5
Molecular Weight:
208.1278
MDL Number:
MFCD00023891
IUPAC Name:
6-nitro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12)
InChI Key:
WWUBAHSWMPFIQZ-UHFFFAOYSA-N
SMILES:
O=N(=O)c1ccc2c(c1)c(=O)oc(=O)[nH]2
EC Number:
225-151-1
NSC Number:
73615
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.129g/mol
Monoisotopic Mass:
208.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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