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85-76-7 | 8-(acetylamino)-5-aminonaphthalene-2-sulfonic acid
CAS No: 85-76-7 Catalog No: AG004Y7L MDL No:
Product Description
Catalog Number:
AG004Y7L
Chemical Name:
8-(acetylamino)-5-aminonaphthalene-2-sulfonic acid
CAS Number:
85-76-7
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
IUPAC Name:
8-acetamido-5-aminonaphthalene-2-sulfonic acid
InChI:
InChI=1S/C12H12N2O4S/c1-7(15)14-12-5-4-11(13)9-3-2-8(6-10(9)12)19(16,17)18/h2-6H,13H2,1H3,(H,14,15)(H,16,17,18)
InChI Key:
SDZUJERWLPSKII-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N
NSC Number:
37077
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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