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859961-96-9 | 4-(Naphthalen-2-ylamino)benzenesulfonic acid
CAS No: 859961-96-9 Catalog No: AG004M62 MDL No:MFCD13186019
Product Description
Catalog Number:
AG004M62
Chemical Name:
4-(Naphthalen-2-ylamino)benzenesulfonic acid
CAS Number:
859961-96-9
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
MDL Number:
MFCD13186019
IUPAC Name:
4-(naphthalen-2-ylamino)benzenesulfonic acid
InChI:
InChI=1S/C16H13NO3S/c18-21(19,20)16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17H,(H,18,19,20)
InChI Key:
NREPNHDVTUIDQF-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc(cc1)Nc1ccc2c(c1)cccc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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