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6-bromopyrazine-2-carboxylic acid

6-bromopyrazine-2-carboxylic acid

CAS: 1196151-53-7

Formula: C5H3BrN2O2

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

IUPAC: 6-bromopyrazine-2-carboxylic acid

InChI: InChI=1S/C5H3BrN2O2/c6-4-2-7-1-3(8-4)5(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 HKGHXDMQMSAZSQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.09
Topological Polar Surface Area 63.08
Polarizability 14.13
Ring Count 1
Rotatable Bond Count 1

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