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Home > Nitro Compounds > 138457-93-9
138457-93-9 | Pyridine, 4-[2-(2-nitrophenyl)ethenyl]-, (E)-
CAS No: 138457-93-9 Catalog No: AG00HVAS MDL No:MFCD00777873
Product Description
Catalog Number:
AG00HVAS
Chemical Name:
Pyridine, 4-[2-(2-nitrophenyl)ethenyl]-, (E)-
CAS Number:
138457-93-9
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
MDL Number:
MFCD00777873
IUPAC Name:
4-[(E)-2-(2-nitrophenyl)ethenyl]pyridine
InChI:
InChI=1S/C13H10N2O2/c16-15(17)13-4-2-1-3-12(13)6-5-11-7-9-14-10-8-11/h1-10H/b6-5+
InChI Key:
SXRUWBQSYQWBAF-AATRIKPKSA-N
SMILES:
[O-][N+](=O)c1ccccc1/C=C/c1ccncc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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