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78686-79-0 | Methyl 5-bromo-2-chloronicotinate
CAS No: 78686-79-0 Catalog No: AG003RXA MDL No:MFCD03844848
Product Description
Catalog Number:
AG003RXA
Chemical Name:
Methyl 5-bromo-2-chloronicotinate
CAS Number:
78686-79-0
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD03844848
IUPAC Name:
methyl 5-bromo-2-chloropyridine-3-carboxylate
InChI:
InChI=1S/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChI Key:
MOMQDEDQGJAKII-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cnc1Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.919g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.476g/mol
Monoisotopic Mass:
248.919g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Methyl 5-bromo-2-chloro-pyridine-3-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20080601 |
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