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151322-83-7 | 3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, ethyl ester
CAS No: 151322-83-7 Catalog No: AG001NAB MDL No:MFCD07368896
Product Description
Catalog Number:
AG001NAB
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, ethyl ester
CAS Number:
151322-83-7
Molecular Formula:
C8H7ClN2O4
Molecular Weight:
230.6052
MDL Number:
MFCD07368896
IUPAC Name:
ethyl 2-chloro-5-nitropyridine-3-carboxylate
InChI:
InChI=1S/C8H7ClN2O4/c1-2-15-8(12)6-3-5(11(13)14)4-10-7(6)9/h3-4H,2H2,1H3
InChI Key:
OXOWYVJYDSTHGX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)OCC)c(nc1)Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.604g/mol
Monoisotopic Mass:
230.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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