200,000+ products from a single source!
sales@angenechem.com
178876-86-3 | 2-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-, methyl ester
CAS No: 178876-86-3 Catalog No: AG0026G0 MDL No:MFCD16036911
Product Description
Catalog Number:
AG0026G0
Chemical Name:
2-Pyridinecarboxylic acid, 5-bromo-1,6-dihydro-6-oxo-, methyl ester
CAS Number:
178876-86-3
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD16036911
IUPAC Name:
methyl 5-bromo-6-oxo-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C7H6BrNO3/c1-12-7(11)5-3-2-4(8)6(10)9-5/h2-3H,1H3,(H,9,10)
InChI Key:
OZVOYEXCBCAMNC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(=O)[nH]1)Br
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.