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1000018-56-3 | Imidazo[1,2-a]pyrazine-2-carboxylic acid, 6-bromo-
CAS No: 1000018-56-3 Catalog No: AG00008Z MDL No:MFCD09414724
Product Description
Catalog Number:
AG00008Z
Chemical Name:
Imidazo[1,2-a]pyrazine-2-carboxylic acid, 6-bromo-
CAS Number:
1000018-56-3
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD09414724
IUPAC Name:
6-bromoimidazo[1,2-a]pyrazine-2-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-5-3-11-2-4(7(12)13)10-6(11)1-9-5/h1-3H,(H,12,13)
InChI Key:
KEMAWFHELKESRS-UHFFFAOYSA-N
SMILES:
Brc1ncc2n(c1)cc(n2)C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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