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Home > Bromides > 1240598-46-2
1240598-46-2 | 4-Pyrimidinecarboxylic acid, 5-bromo-2-(2-furanyl)-
CAS No: 1240598-46-2 Catalog No: AG000LID MDL No:
Product Description
Catalog Number:
AG000LID
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-2-(2-furanyl)-
CAS Number:
1240598-46-2
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
IUPAC Name:
5-bromo-2-(furan-2-yl)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H5BrN2O3/c10-5-4-11-8(6-2-1-3-15-6)12-7(5)9(13)14/h1-4H,(H,13,14)
InChI Key:
HTFJUZFDOWIVHN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(ncc1Br)c1ccco1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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