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59237-53-5 | Methyl6-Chloro-5-Nitronicotinate
CAS No: 59237-53-5 Catalog No: AG00359C MDL No:MFCD01928341
Product Description
Catalog Number:
AG00359C
Chemical Name:
Methyl6-Chloro-5-Nitronicotinate
CAS Number:
59237-53-5
Molecular Formula:
C7H5ClN2O4
Molecular Weight:
216.5786
MDL Number:
MFCD01928341
IUPAC Name:
methyl 6-chloro-5-nitropyridine-3-carboxylate
InChI:
InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3
InChI Key:
BRPREIDVQXJOJH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Cl)C(=O)OC
NSC Number:
405361
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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