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Home > Bromides > 1256813-52-1
1256813-52-1 | 2-Pyridinecarboxylic acid, 4-bromo-5-methyl-, methyl ester
CAS No: 1256813-52-1 Catalog No: AG000OEB MDL No:MFCD18258411
Product Description
Catalog Number:
AG000OEB
Chemical Name:
2-Pyridinecarboxylic acid, 4-bromo-5-methyl-, methyl ester
CAS Number:
1256813-52-1
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD18258411
IUPAC Name:
methyl 4-bromo-5-methylpyridine-2-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-4-10-7(3-6(5)9)8(11)12-2/h3-4H,1-2H3
InChI Key:
OVHCOFRZUHVMIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(c(c1)Br)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.061g/mol
Monoisotopic Mass:
228.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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