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132334-98-6 | 3-Pyridinecarboxylic acid, 6-bromo-, ethyl ester
CAS No: 132334-98-6 Catalog No: AG0010JW MDL No:MFCD11111853
Product Description
Catalog Number:
AG0010JW
Chemical Name:
3-Pyridinecarboxylic acid, 6-bromo-, ethyl ester
CAS Number:
132334-98-6
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD11111853
IUPAC Name:
ethyl 6-bromopyridine-3-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-7(9)10-5-6/h3-5H,2H2,1H3
InChI Key:
NTOOSJSHTQNLKP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1)Br
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:
2.3
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