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Home > Bromides > 2055840-93-0
2055840-93-0 | 4-Pyridinecarboxylic acid, 3-bromo-5-ethenyl-, methyl ester
CAS No: 2055840-93-0 Catalog No: AG002A6Z MDL No:
Product Description
Catalog Number:
AG002A6Z
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-5-ethenyl-, methyl ester
CAS Number:
2055840-93-0
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
IUPAC Name:
methyl 3-bromo-5-ethenylpyridine-4-carboxylate
InChI:
InChI=1S/C9H8BrNO2/c1-3-6-4-11-5-7(10)8(6)9(12)13-2/h3-5H,1H2,2H3
InChI Key:
GAOSCZWEHVVWDE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)cncc1C=C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/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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