Home Halogens 4,6-Dichloro-5-nitronicotinic acid ethyl ester

4,6-Dichloro-5-nitronicotinic acid ethyl ester

CAS No.:
154012-15-4
Catalog Number:
AG00AD44
Molecular Formula:
C8H6Cl2N2O4
Molecular Weight:
265.0502
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Product Description
Catalog Number:
AG00AD44
Chemical Name:
4,6-Dichloro-5-nitronicotinic acid ethyl ester
CAS Number:
154012-15-4
Molecular Formula:
C8H6Cl2N2O4
Molecular Weight:
265.0502
MDL Number:
MFCD09842620
IUPAC Name:
ethyl 4,6-dichloro-5-nitropyridine-3-carboxylate
InChI:
InChI=1S/C8H6Cl2N2O4/c1-2-16-8(13)4-3-11-7(10)6(5(4)9)12(14)15/h3H,2H2,1H3
InChI Key:
VMNMZVKEDHEOEJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c(cnc1Cl)C(=O)OCC
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.97g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.046g/mol
Monoisotopic Mass:
263.97g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties