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Home > Nitro Compounds > 616-71-7
616-71-7 | nitrosalol
CAS No: 616-71-7 Catalog No: AG00F31I MDL No:
Product Description
Catalog Number:
AG00F31I
Chemical Name:
nitrosalol
CAS Number:
616-71-7
IUPAC Name:
phenyl 2-hydroxy-5-nitrobenzoate
InChI:
InChI=1S/C13H9NO5/c15-12-7-6-9(14(17)18)8-11(12)13(16)19-10-4-2-1-3-5-10/h1-8,15H
InChI Key:
VRFZRHOUUNUZKI-UHFFFAOYSA-N
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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