200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 71494-74-1
71494-74-1 | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(3-nitrophenyl)azo]-
CAS No: 71494-74-1 Catalog No: AG005HP9 MDL No:
Product Description
Catalog Number:
AG005HP9
Chemical Name:
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(3-nitrophenyl)azo]-
CAS Number:
71494-74-1
Molecular Formula:
C16H11N3O9S2
Molecular Weight:
453.4032
IUPAC Name:
3-hydroxy-4-[(3-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C16H11N3O9S2/c20-16-14(30(26,27)28)7-9-6-12(29(23,24)25)4-5-13(9)15(16)18-17-10-2-1-3-11(8-10)19(21)22/h1-8,20H,(H,23,24,25)(H,26,27,28)
InChI Key:
DKKOAESQAFUSIQ-UHFFFAOYSA-N
SMILES:
Oc1c(N=Nc2cccc(c2)[N+](=O)[O-])c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.994g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
453.396g/mol
Monoisotopic Mass:
452.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.