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5-Bromopyrimidine-2-carboxamide

CAT: 0127-OR1038035-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1038035-01Size:1 g
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CAS Number
38275-60-4
MDL Number
MFCD00507192
Purity
97%
Smiles
O=C(C1=NC=C(Br)C=N1)N

Chemical Information

5-Bromopyrimidine-2-carboxamide
CAS Number38275-60-4
PubChem CID33726850
IUPAC Name5-bromopyrimidine-2-carboxamide
Molecular FormulaC5H4BrN3O
Molecular Weight202.01
XLogP0.1
Topological Polar Surface Area68.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1=C(C=NC(=N1)C(=O)N)Br
InChI
InChI=1S/C5H4BrN3O/c6-3-1-8-5(4(7)10)9-2-3/h1-2H,(H2,7,10)
InChIKey
UANMMCVKKMRRPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromopyrimidine-2-carboxamide
CAS: 38275-60-4
CID: 33726850
Formula: C5H4BrN3O
MW: 202.01
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.01
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass200.95377
Monoisotopic Mass200.95377
Topological Polar Surface Area68.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes