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methyl 2-chloro-5-nitropyridine-3-carboxylate

methyl 2-chloro-5-nitropyridine-3-carboxylate

CAS: 190271-88-6

Formula: C7H5ClN2O4

SMILES: COC(=O)C1=CC(=CN=C1Cl)[N+]([O-])=O

IUPAC: 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

Composition: C (38.82%), H (2.33%), Cl (16.37%), N (12.93%), O (29.55%)

Molar Mass: 216.58

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.9937843
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey IPSMDDVNXJKYRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.11
Topological Polar Surface Area 82.33
Polarizability 17.95
Ring Count 1
Rotatable Bond Count 3

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