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1304064-99-0

1304064-99-0 | IMidazo[1,5-a]pyrazine-3-carboxylic acid, 1-broMo-, ethyl ester

CAS No: 1304064-99-0 Catalog No: AG000UDB MDL No:

Product Description

Catalog Number:
AG000UDB
Chemical Name:
IMidazo[1,5-a]pyrazine-3-carboxylic acid, 1-broMo-, ethyl ester
CAS Number:
1304064-99-0
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
IUPAC Name:
ethyl 1-bromoimidazo[1,5-a]pyrazine-3-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)8-12-7(10)6-5-11-3-4-13(6)8/h3-5H,2H2,1H3
InChI Key:
AHUWOOAHQFAMAP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(c2n1ccnc2)Br

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.98g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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