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17521-00-5 | 1-Naphthalenesulfonic acid, 5-nitro-
CAS No: 17521-00-5 Catalog No: AG0020PW MDL No:
Product Description
Catalog Number:
AG0020PW
Chemical Name:
1-Naphthalenesulfonic acid, 5-nitro-
CAS Number:
17521-00-5
Molecular Formula:
C10H7NO5S
Molecular Weight:
253.2313
IUPAC Name:
5-nitronaphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H7NO5S/c12-11(13)9-5-1-4-8-7(9)3-2-6-10(8)17(14,15)16/h1-6H,(H,14,15,16)
InChI Key:
FTNWWQOFRQZWSC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1cccc2S(=O)(=O)O
EC Number:
241-518-9
NSC Number:
163495
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.228g/mol
Monoisotopic Mass:
253.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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