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Home > Bromides > 1214362-45-4
1214362-45-4 | 2-Pyridinecarboxylic acid, 3-bromo-5-chloro-, methyl ester
CAS No: 1214362-45-4 Catalog No: AG0014WW MDL No:MFCD14698105
Product Description
Catalog Number:
AG0014WW
Chemical Name:
2-Pyridinecarboxylic acid, 3-bromo-5-chloro-, methyl ester
CAS Number:
1214362-45-4
Molecular Formula:
C7H5BrClNO2
Molecular Weight:
250.4771
MDL Number:
MFCD14698105
IUPAC Name:
methyl 3-bromo-5-chloropyridine-2-carboxylate
InChI:
InChI=1S/C7H5BrClNO2/c1-12-7(11)6-5(8)2-4(9)3-10-6/h2-3H,1H3
InChI Key:
FGGMRJLIUFDXBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1Br)Cl
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
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