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13959-01-8 | 4-Pyridinecarboxylic acid, 3-bromo-, ethyl ester
CAS No: 13959-01-8 Catalog No: AG001BBV MDL No:MFCD11226640
Product Description
Catalog Number:
AG001BBV
Chemical Name:
4-Pyridinecarboxylic acid, 3-bromo-, ethyl ester
CAS Number:
13959-01-8
Molecular Formula:
C8H8BrNO2
Molecular Weight:
230.0586
MDL Number:
MFCD11226640
IUPAC Name:
ethyl 3-bromopyridine-4-carboxylate
InChI:
InChI=1S/C8H8BrNO2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2H2,1H3
InChI Key:
KAJIRIIDTCRPKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccncc1Br
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:
1.8
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