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13301-05-8 | 2-Pyrazinecarboxylic acid, 6-bromo-3-(dimethylamino)-, methyl ester
CAS No: 13301-05-8 Catalog No: AG0011JI MDL No:
Product Description
Catalog Number:
AG0011JI
Chemical Name:
2-Pyrazinecarboxylic acid, 6-bromo-3-(dimethylamino)-, methyl ester
CAS Number:
13301-05-8
Molecular Formula:
C8H10BrN3O2
Molecular Weight:
260.0879
IUPAC Name:
methyl 6-bromo-3-(dimethylamino)pyrazine-2-carboxylate
InChI:
InChI=1S/C8H10BrN3O2/c1-12(2)7-6(8(13)14-3)11-5(9)4-10-7/h4H,1-3H3
InChI Key:
LUDBFTINYRPZDE-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Br)cnc1N(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.996g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.091g/mol
Monoisotopic Mass:
258.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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