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Home > Nitro Compounds > 130-34-7
130-34-7 | 2H-Naphtho[1,2-d]triazole-6,8-disulfonic acid, 2-(4-nitrophenyl)-
CAS No: 130-34-7 Catalog No: AG000TVC MDL No:
Product Description
Catalog Number:
AG000TVC
Chemical Name:
2H-Naphtho[1,2-d]triazole-6,8-disulfonic acid, 2-(4-nitrophenyl)-
CAS Number:
130-34-7
Molecular Formula:
C16H10N4O8S2
Molecular Weight:
450.4026
IUPAC Name:
2-(4-nitrophenyl)benzo[e]benzotriazole-6,8-disulfonic acid
InChI:
InChI=1S/C16H10N4O8S2/c21-20(22)10-3-1-9(2-4-10)19-17-14-6-5-12-13(16(14)18-19)7-11(29(23,24)25)8-15(12)30(26,27)28/h1-8H,(H,23,24,25)(H,26,27,28)
InChI Key:
YHIPGHKFOXNVKS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc2c(n1)ccc1c2cc(cc1S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-986-5
Properties
Complexity:
872
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.994g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.396g/mol
Monoisotopic Mass:
449.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
202A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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