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Home > Bromides > 1256818-41-3
1256818-41-3 | 3-Pyridinecarboxylic acid, 4-bromo-2-methyl-, ethyl ester
CAS No: 1256818-41-3 Catalog No: AG000OF9 MDL No:
Product Description
Catalog Number:
AG000OF9
Chemical Name:
3-Pyridinecarboxylic acid, 4-bromo-2-methyl-, ethyl ester
CAS Number:
1256818-41-3
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
IUPAC Name:
ethyl 4-bromo-2-methylpyridine-3-carboxylate
InChI:
InChI=1S/C9H10BrNO2/c1-3-13-9(12)8-6(2)11-5-4-7(8)10/h4-5H,3H2,1-2H3
InChI Key:
YLQWMYIZFWWUAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)ccnc1C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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