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13301-04-7 | 2-Pyrazinecarboxylic acid, 3,6-dibromo-, methyl ester
CAS No: 13301-04-7 Catalog No: AG0011JJ MDL No:MFCD11976863
Product Description
Catalog Number:
AG0011JJ
Chemical Name:
2-Pyrazinecarboxylic acid, 3,6-dibromo-, methyl ester
CAS Number:
13301-04-7
Molecular Formula:
C6H4Br2N2O2
Molecular Weight:
295.9162
MDL Number:
MFCD11976863
IUPAC Name:
methyl 3,6-dibromopyrazine-2-carboxylate
InChI:
InChI=1S/C6H4Br2N2O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3
InChI Key:
OHKYQPNNVGHVOT-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(Br)cnc1Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.862g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.918g/mol
Monoisotopic Mass:
293.864g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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