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1379302-09-6 | 4-Pyridinecarboxylic acid, 2-chloro-3-nitro-, methyl ester
CAS No: 1379302-09-6 Catalog No: AG00144B MDL No:MFCD17214977
Product Description
Catalog Number:
AG00144B
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-3-nitro-, methyl ester
CAS Number:
1379302-09-6
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
MDL Number:
MFCD17214977
IUPAC Name:
methyl 2-chloro-3-nitropyridine-4-carboxylate
InChI:
InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-3-9-6(8)5(4)10(12)13/h2-3H,1H3
InChI Key:
IKVUHYWOJCHEGA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccnc1Cl)C(=O)OC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.577g/mol
Monoisotopic Mass:
215.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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