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Home > Aldehydes > 1803582-88-8
1803582-88-8 | 4-Pyridinecarboxaldehyde, 3-nitro-, hydrochloride (1:1)
CAS No: 1803582-88-8 Catalog No: AG0021X6 MDL No:MFCD27991349
Product Description
Catalog Number:
AG0021X6
Chemical Name:
4-Pyridinecarboxaldehyde, 3-nitro-, hydrochloride (1:1)
CAS Number:
1803582-88-8
Molecular Formula:
C6H5ClN2O3
Molecular Weight:
188.5685
MDL Number:
MFCD27991349
IUPAC Name:
3-nitropyridine-4-carbaldehyde;hydrochloride
InChI:
InChI=1S/C6H4N2O3.ClH/c9-4-5-1-2-7-3-6(5)8(10)11;/h1-4H;1H
InChI Key:
MEPBNVQKERBNLR-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1[N+](=O)[O-].Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.567g/mol
Monoisotopic Mass:
187.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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