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190271-88-6 | 3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, methyl ester
CAS No: 190271-88-6 Catalog No: AG002EGH MDL No:MFCD07368888
Product Description
Catalog Number:
AG002EGH
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-5-nitro-, methyl ester
CAS Number:
190271-88-6
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
MDL Number:
MFCD07368888
IUPAC Name:
methyl 2-chloro-5-nitropyridine-3-carboxylate
InChI:
InChI=1S/C7H5ClN2O4/c1-14-7(11)5-2-4(10(12)13)3-9-6(5)8/h2-3H,1H3
InChI Key:
IPSMDDVNXJKYRH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1Cl)[N+](=O)[O-]
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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