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1823338-63-1 | Imidazo[1,2-a]pyrimidine-2-carboxylic acid, 3-bromo-, methyl ester
CAS No: 1823338-63-1 Catalog No: AG0023N8 MDL No:
Product Description
Catalog Number:
AG0023N8
Chemical Name:
Imidazo[1,2-a]pyrimidine-2-carboxylic acid, 3-bromo-, methyl ester
CAS Number:
1823338-63-1
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
IUPAC Name:
methyl 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-7(13)5-6(9)12-4-2-3-10-8(12)11-5/h2-4H,1H3
InChI Key:
DKNCOPSOVSRPKV-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2n(c1Br)cccn2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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