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116369-75-6 | 2-Naphthalenol, 1-[2-[2-chloro-4-(ethenylsulfonyl)phenyl]diazenyl]-
CAS No: 116369-75-6 Catalog No: AG000CBT MDL No:
Product Description
Catalog Number:
AG000CBT
Chemical Name:
2-Naphthalenol, 1-[2-[2-chloro-4-(ethenylsulfonyl)phenyl]diazenyl]-
CAS Number:
116369-75-6
Molecular Formula:
C18H13ClN2O3S
Molecular Weight:
372.8254
IUPAC Name:
1-[(2-chloro-4-ethenylsulfonylphenyl)diazenyl]naphthalen-2-ol
InChI:
InChI=1S/C18H13ClN2O3S/c1-2-25(23,24)13-8-9-16(15(19)11-13)20-21-18-14-6-4-3-5-12(14)7-10-17(18)22/h2-11,22H,1H2
InChI Key:
XEKLBBQDQOALST-UHFFFAOYSA-N
SMILES:
C=CS(=O)(=O)c1ccc(c(c1)Cl)N=Nc1c(O)ccc2c1cccc2
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.034g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.823g/mol
Monoisotopic Mass:
372.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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