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6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid

6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid

CAS: 749846-42-2

Formula: C8H5BrN2O2

SMILES: OC(=O)C1=CN2C(Br)=CC=C2C=N1

IUPAC: 6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid

InChI: InChI=1S/C8H5BrN2O2/c9-7-2-1-5-3-10-6(8(12)13)4-11(5)7/h1-4H,(H,12,13)

Composition: C (39.86%), H (2.09%), Br (33.15%), N (11.62%), O (13.27%)

Molar Mass: 241.044

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 239.95344
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CNULAWGZSOSLHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.27
Topological Polar Surface Area 54.6
Polarizability 19.28
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 749846-42-2 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,607.70$5,612.00
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