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1216209-89-0 | 4-Pyrimidinecarboxamide, 5-bromo-
CAS No: 1216209-89-0 Catalog No: AG0015F0 MDL No:
Product Description
Catalog Number:
AG0015F0
Chemical Name:
4-Pyrimidinecarboxamide, 5-bromo-
CAS Number:
1216209-89-0
Molecular Formula:
C5H4BrN3O
Molecular Weight:
202.0088
IUPAC Name:
5-bromopyrimidine-4-carboxamide
InChI:
InChI=1S/C5H4BrN3O/c6-3-1-8-2-9-4(3)5(7)10/h1-2H,(H2,7,10)
InChI Key:
CGVFADLDPAJRJQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ncncc1Br
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.011g/mol
Monoisotopic Mass:
200.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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