Home Aldehydes 5-Chloro-3-nitropyridine-2-carboxaldehyde

5-Chloro-3-nitropyridine-2-carboxaldehyde

CAS No.:
1086838-13-2
Catalog Number:
AG0099DO
Molecular Formula:
C6H3ClN2O3
Molecular Weight:
186.5526
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Product Description
Catalog Number:
AG0099DO
Chemical Name:
5-Chloro-3-nitropyridine-2-carboxaldehyde
CAS Number:
1086838-13-2
Molecular Formula:
C6H3ClN2O3
Molecular Weight:
186.5526
MDL Number:
MFCD18250468
IUPAC Name:
5-chloro-3-nitropyridine-2-carbaldehyde
InChI:
InChI=1S/C6H3ClN2O3/c7-4-1-6(9(11)12)5(3-10)8-2-4/h1-3H
InChI Key:
WSRAYZCNSPVZHL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)cnc1C=O
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.983g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.551g/mol
Monoisotopic Mass:
185.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties