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1170776-06-3

1170776-06-3 | Imidazo[1,2-a]pyrazine-2-carboxylic acid, 3-bromo-5,6,7,8-tetrahydro-, ethyl ester

CAS No: 1170776-06-3 Catalog No: AG000DNJ MDL No:

Product Description

Catalog Number:
AG000DNJ
Chemical Name:
Imidazo[1,2-a]pyrazine-2-carboxylic acid, 3-bromo-5,6,7,8-tetrahydro-, ethyl ester
CAS Number:
1170776-06-3
Molecular Formula:
C9H12BrN3O2
Molecular Weight:
274.1145
IUPAC Name:
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
InChI:
InChI=1S/C9H12BrN3O2/c1-2-15-9(14)7-8(10)13-4-3-11-5-6(13)12-7/h11H,2-5H2,1H3
InChI Key:
JWCFJOJJHYFXSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2n(c1Br)CCNC2

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.011g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.118g/mol
Monoisotopic Mass:
273.011g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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