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188771-76-8 | Benzoic acid, 2-hydroxy-5-[[(4-nitrophenyl)methylene]amino]-
CAS No: 188771-76-8 Catalog No: AG002HAV MDL No:
Product Description
Catalog Number:
AG002HAV
Chemical Name:
Benzoic acid, 2-hydroxy-5-[[(4-nitrophenyl)methylene]amino]-
CAS Number:
188771-76-8
Molecular Formula:
C14H10N2O5
Molecular Weight:
286.2396
IUPAC Name:
2-hydroxy-5-[(4-nitrophenyl)methylideneamino]benzoic acid
InChI:
InChI=1S/C14H10N2O5/c17-13-6-3-10(7-12(13)14(18)19)15-8-9-1-4-11(5-2-9)16(20)21/h1-8,17H,(H,18,19)
InChI Key:
ZHQVYBYGNKXBNJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C=Nc1ccc(c(c1)C(=O)O)O
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.243g/mol
Monoisotopic Mass:
286.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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