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Home > Bromides > 1174028-22-8
1174028-22-8 | 3-Pyridinecarboxylic acid, 5-bromo-6-methyl-, methyl ester
CAS No: 1174028-22-8 Catalog No: AG000E9C MDL No:MFCD19440397
Product Description
Catalog Number:
AG000E9C
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-6-methyl-, methyl ester
CAS Number:
1174028-22-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD19440397
IUPAC Name:
methyl 5-bromo-6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-5-7(9)3-6(4-10-5)8(11)12-2/h3-4H,1-2H3
InChI Key:
AOSWEDIDPYRZRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(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:
1.8
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