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138747-11-2 | Pyrrolo[1,2-a]pyrazinium, 2-(2-ethoxy-2-oxoethyl)-1-methyl-, bromide (1:1)
CAS No: 138747-11-2 Catalog No: AG0019H1 MDL No:
Product Description
Catalog Number:
AG0019H1
Chemical Name:
Pyrrolo[1,2-a]pyrazinium, 2-(2-ethoxy-2-oxoethyl)-1-methyl-, bromide (1:1)
CAS Number:
138747-11-2
Molecular Formula:
C12H15BrN2O2
Molecular Weight:
299.1637
IUPAC Name:
ethyl 2-(1-methylpyrrolo[1,2-a]pyrazin-2-ium-2-yl)acetate;bromide
InChI:
InChI=1S/C12H15N2O2.BrH/c1-3-16-12(15)9-14-8-7-13-6-4-5-11(13)10(14)2;/h4-8H,3,9H2,1-2H3;1H/q+1;/p-1
InChI Key:
ASSAUAZHVQODHY-UHFFFAOYSA-M
SMILES:
CCOC(=O)C[n+]1ccn2c(c1C)ccc2.[Br-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.168g/mol
Monoisotopic Mass:
298.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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