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119308-57-5 | 4-Pyridinecarboxylic acid, 2,6-dibromo-, methyl ester
CAS No: 119308-57-5 Catalog No: AG000IKO MDL No:MFCD11042543
Product Description
Catalog Number:
AG000IKO
Chemical Name:
4-Pyridinecarboxylic acid, 2,6-dibromo-, methyl ester
CAS Number:
119308-57-5
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
MDL Number:
MFCD11042543
IUPAC Name:
methyl 2,6-dibromopyridine-4-carboxylate
InChI:
InChI=1S/C7H5Br2NO2/c1-12-7(11)4-2-5(8)10-6(9)3-4/h2-3H,1H3
InChI Key:
XGHFPTMUVIDZNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)nc(c1)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.93g/mol
Monoisotopic Mass:
292.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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