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259810-39-4 | 2-Pyrimidinecarboxylic acid, 4-bromo-
CAS No: 259810-39-4 Catalog No: AG002RAD MDL No:
Product Description
Catalog Number:
AG002RAD
Chemical Name:
2-Pyrimidinecarboxylic acid, 4-bromo-
CAS Number:
259810-39-4
Molecular Formula:
C5H3BrN2O2
Molecular Weight:
202.9935
IUPAC Name:
4-bromopyrimidine-2-carboxylic acid
InChI:
InChI=1S/C5H3BrN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)
InChI Key:
KXQNTSNKQKTYPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(Br)ccn1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.938g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.995g/mol
Monoisotopic Mass:
201.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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