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2-bromopyrimidine-4-carboxylic acid

2-bromopyrimidine-4-carboxylic acid

CAS: 1211515-50-2

Formula: C5H3BrN2O2

SMILES: OC(=O)C1=NC(Br)=NC=C1

IUPAC: 2-bromopyrimidine-4-carboxylic acid

InChI: InChI=1S/C5H3BrN2O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)

Composition: C (29.58%), H (1.49%), Br (39.36%), N (13.80%), O (15.76%)

Molar Mass: 202.995

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.93779
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BXVZKCRMRSEGES-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.7
Topological Polar Surface Area 63.08
Polarizability 14.18
Ring Count 1
Rotatable Bond Count 1

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1211515-50-2 $235.98-$908.96$235.98$235.98$364.90$364.90$908.96$908.96
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Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1211515-50-2 $271.12-$460.27$271.12$460.27
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