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141814-26-8 | 2-Naphthalenesulfonic acid, 6-[(2,3-dibromo-1-oxopropyl)amino]-
CAS No: 141814-26-8 Catalog No: AG001H90 MDL No:
Product Description
Catalog Number:
AG001H90
Chemical Name:
2-Naphthalenesulfonic acid, 6-[(2,3-dibromo-1-oxopropyl)amino]-
CAS Number:
141814-26-8
Molecular Formula:
C13H11Br2NO4S
Molecular Weight:
437.1037
IUPAC Name:
6-(2,3-dibromopropanoylamino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C13H11Br2NO4S/c14-7-12(15)13(17)16-10-3-1-9-6-11(21(18,19)20)4-2-8(9)5-10/h1-6,12H,7H2,(H,16,17)(H,18,19,20)
InChI Key:
RXQPASOXUNNSOS-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O)Br
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.876g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.102g/mol
Monoisotopic Mass:
434.878g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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