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26156-48-9 | 4-Pyridinecarboxylic acid, 2-bromo-, methyl ester
CAS No: 26156-48-9 Catalog No: AG002RWL MDL No:MFCD03791265
Product Description
Catalog Number:
AG002RWL
Chemical Name:
4-Pyridinecarboxylic acid, 2-bromo-, methyl ester
CAS Number:
26156-48-9
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.0320
MDL Number:
MFCD03791265
IUPAC Name:
methyl 2-bromopyridine-4-carboxylate
InChI:
InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChI Key:
MULLTHQTADMZDM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(c1)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:
1.6
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