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Home > Bromides > 1256808-62-4
1256808-62-4 | 3-Pyridinecarboxylic acid, 5-bromo-4-chloro-, methyl ester
CAS No: 1256808-62-4 Catalog No: AG000OEY MDL No:MFCD18257863
Product Description
Catalog Number:
AG000OEY
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-4-chloro-, methyl ester
CAS Number:
1256808-62-4
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD18257863
IUPAC Name:
methyl 5-bromo-4-chloropyridine-3-carboxylate
InChI:
InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-10-3-5(8)6(4)9/h2-3H,1H3
InChI Key:
WJJBNSODAKTWHI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1Cl)Br
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
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