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Home > Bromides > 1214353-79-3
1214353-79-3 | 2-Pyridinecarboxylic acid, 5-bromo-6-chloro-, methyl ester
CAS No: 1214353-79-3 Catalog No: AG0014VZ MDL No:MFCD14698104
Product Description
Catalog Number:
AG0014VZ
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-6-chloro-, methyl ester
CAS Number:
1214353-79-3
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD14698104
IUPAC Name:
methyl 5-bromo-6-chloropyridine-2-carboxylate
InChI:
InChI=1S/C7H5BrClNO2/c1-12-7(11)5-3-2-4(8)6(9)10-5/h2-3H,1H3
InChI Key:
WCWGHRWBXIRYFR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)Cl)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:
2.7
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