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Home > Nitro Compounds > 87974-54-7
87974-54-7 | Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)-
CAS No: 87974-54-7 Catalog No: AG004PAT MDL No:
Product Description
Catalog Number:
AG004PAT
Chemical Name:
Methanone, (2-hydroxy-5-nitrophenyl)phenyl-, oxime, (E)-
CAS Number:
87974-54-7
Molecular Formula:
C13H10N2O4
Molecular Weight:
258.2295
IUPAC Name:
2-(N-hydroxy-C-phenylcarbonimidoyl)-4-nitrophenol
InChI:
InChI=1S/C13H10N2O4/c16-12-7-6-10(15(18)19)8-11(12)13(14-17)9-4-2-1-3-5-9/h1-8,16-17H
InChI Key:
XYOMZQYLYXHQJT-UHFFFAOYSA-N
SMILES:
O/N=C(/c1cc(ccc1O)[N+](=O)[O-])\c1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.233g/mol
Monoisotopic Mass:
258.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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