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Home > Nitro Compounds > 80180-68-3
80180-68-3 | Benzoic acid,2,2'-diselenobis[5-nitro- (9CI)
CAS No: 80180-68-3 Catalog No: AG005CJT MDL No:
Product Description
Catalog Number:
AG005CJT
Chemical Name:
Benzoic acid,2,2'-diselenobis[5-nitro- (9CI)
CAS Number:
80180-68-3
Molecular Formula:
C14H8N2O8Se2
Molecular Weight:
490.1419
IUPAC Name:
2-[(2-carboxy-4-nitrophenyl)diselanyl]-5-nitrobenzoic acid
InChI:
InChI=1S/C14H8N2O8Se2/c17-13(18)9-5-7(15(21)22)1-3-11(9)25-26-12-4-2-8(16(23)24)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChI Key:
DSWCVZVEOQOMDP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1[Se][Se]c1ccc(cc1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.861g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
490.166g/mol
Monoisotopic Mass:
491.861g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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