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116410-54-9 | 1,3-Benzenediol, 4-(1-naphthalenylsulfonyl)-
CAS No: 116410-54-9 Catalog No: AG000CF4 MDL No:
Product Description
Catalog Number:
AG000CF4
Chemical Name:
1,3-Benzenediol, 4-(1-naphthalenylsulfonyl)-
CAS Number:
116410-54-9
Molecular Formula:
C16H12O4S
Molecular Weight:
300.3291
IUPAC Name:
4-naphthalen-1-ylsulfonylbenzene-1,3-diol
InChI:
InChI=1S/C16H12O4S/c17-12-8-9-16(14(18)10-12)21(19,20)15-7-3-5-11-4-1-2-6-13(11)15/h1-10,17-18H
InChI Key:
PNWOOVWKVIGDFZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)O)S(=O)(=O)c1cccc2c1cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.328g/mol
Monoisotopic Mass:
300.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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