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887973-57-1 | 5-(3-NITROPHENYL)PYRIDINE-3-CARBALDEHYDE
CAS No: 887973-57-1 Catalog No: AG01C7L5 MDL No:MFCD06410239
Product Description
Catalog Number:
AG01C7L5
Chemical Name:
5-(3-NITROPHENYL)PYRIDINE-3-CARBALDEHYDE
CAS Number:
887973-57-1
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD06410239
IUPAC Name:
5-(3-nitrophenyl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C12H8N2O3/c15-8-9-4-11(7-13-6-9)10-2-1-3-12(5-10)14(16)17/h1-8H
InChI Key:
XRUWAMHSDGBFQK-UHFFFAOYSA-N
SMILES:
O=Cc1cncc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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