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88344-82-5 | 1,4-Benzenedisulfonamide, 2-chloro-3-nitro-
CAS No: 88344-82-5 Catalog No: AG0046Q2 MDL No:
Product Description
Catalog Number:
AG0046Q2
Chemical Name:
1,4-Benzenedisulfonamide, 2-chloro-3-nitro-
CAS Number:
88344-82-5
Molecular Formula:
C6H6ClN3O6S2
Molecular Weight:
315.7113
IUPAC Name:
2-chloro-3-nitrobenzene-1,4-disulfonamide
InChI:
InChI=1S/C6H6ClN3O6S2/c7-5-3(17(8,13)14)1-2-4(18(9,15)16)6(5)10(11)12/h1-2H,(H2,8,13,14)(H2,9,15,16)
InChI Key:
PDIYYBBIOZAWPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c(ccc1S(=O)(=O)N)S(=O)(=O)N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.939g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.699g/mol
Monoisotopic Mass:
314.939g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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