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26218-78-0 | 3-Pyridinecarboxylic acid, 6-bromo-, methyl ester
CAS No: 26218-78-0 Catalog No: AG002SB4 MDL No:MFCD04972371
Product Description
Catalog Number:
AG002SB4
Chemical Name:
3-Pyridinecarboxylic acid, 6-bromo-, methyl ester
CAS Number:
26218-78-0
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD04972371
IUPAC Name:
methyl 6-bromopyridine-3-carboxylate
InChI:
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3
InChI Key:
NFLROFLPSNZIAH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.958g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.034g/mol
Monoisotopic Mass:
214.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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