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20986-40-7 | 3-Pyridinecarboxylic acid, 5-bromo-, ethyl ester
CAS No: 20986-40-7 Catalog No: AG002KGN MDL No:MFCD00040366
Product Description
Catalog Number:
AG002KGN
Chemical Name:
3-Pyridinecarboxylic acid, 5-bromo-, ethyl ester
CAS Number:
20986-40-7
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD00040366
IUPAC Name:
ethyl 5-bromopyridine-3-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3
InChI Key:
PCPIANOJERKFJI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncc(c1)Br
NSC Number:
363896
Properties
Complexity:
163
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:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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