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Home > Bromides > 2055841-00-2
2055841-00-2 | 2-Pyrimidineacetic acid, 5-bromo-, sodium salt (1:1)
CAS No: 2055841-00-2 Catalog No: AG002A6W MDL No:
Product Description
Catalog Number:
AG002A6W
Chemical Name:
2-Pyrimidineacetic acid, 5-bromo-, sodium salt (1:1)
CAS Number:
2055841-00-2
Molecular Formula:
C6H4BrN2NaO2
Molecular Weight:
239.0019
IUPAC Name:
sodium;2-(5-bromopyrimidin-2-yl)acetate
InChI:
InChI=1S/C6H5BrN2O2.Na/c7-4-2-8-5(9-3-4)1-6(10)11;/h2-3H,1H2,(H,10,11);/q;+1/p-1
InChI Key:
DEHNCPQTCAVCDJ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1ncc(cn1)Br.[Na+]
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.004g/mol
Monoisotopic Mass:
237.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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