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259794-06-4 | 2-Pyrazinecarboxylic acid, 6-bromo-3-methoxy-, methyl ester
CAS No: 259794-06-4 Catalog No: AG002R9O MDL No:
Product Description
Catalog Number:
AG002R9O
Chemical Name:
2-Pyrazinecarboxylic acid, 6-bromo-3-methoxy-, methyl ester
CAS Number:
259794-06-4
Molecular Formula:
C7H7BrN2O3
Molecular Weight:
247.0461
IUPAC Name:
methyl 6-bromo-3-methoxypyrazine-2-carboxylate
InChI:
InChI=1S/C7H7BrN2O3/c1-12-6-5(7(11)13-2)10-4(8)3-9-6/h3H,1-2H3
InChI Key:
YWGAPWVOZUZZPK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Br)cnc1OC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.048g/mol
Monoisotopic Mass:
245.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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