Home Halogens ethyl 3-bromoimidazo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-bromoimidazo[1,5-a]pyrimidine-6-carboxylate

CAS No.:
1795534-02-9
Catalog Number:
AG01BDW8
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
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Product Description
Catalog Number:
AG01BDW8
Chemical Name:
ethyl 3-bromoimidazo[1,5-a]pyrimidine-6-carboxylate
CAS Number:
1795534-02-9
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD28125006
IUPAC Name:
ethyl 3-bromoimidazo[1,5-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)8-12-4-7-11-3-6(10)5-13(7)8/h3-5H,2H2,1H3
InChI Key:
YLUKWNDHFDDSRE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2n1cc(Br)cn2
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  
Properties