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7401-13-0 | 4-(benzoylamino)naphthalene-2,7-disulfonic acid
CAS No: 7401-13-0 Catalog No: AG005IJH MDL No:
Product Description
Catalog Number:
AG005IJH
Chemical Name:
4-(benzoylamino)naphthalene-2,7-disulfonic acid
CAS Number:
7401-13-0
Molecular Formula:
C17H13NO7S2
Molecular Weight:
407.4176
IUPAC Name:
4-benzamidonaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C17H13NO7S2/c19-17(11-4-2-1-3-5-11)18-16-10-14(27(23,24)25)9-12-8-13(26(20,21)22)6-7-15(12)16/h1-10H,(H,18,19)(H,20,21,22)(H,23,24,25)
InChI Key:
MYUKRFIIUPXULF-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cc(cc2c1ccc(c2)S(=O)(=O)O)S(=O)(=O)O
NSC Number:
37172
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.013g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.411g/mol
Monoisotopic Mass:
407.013g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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