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Home > Bromides > 1197237-92-5
1197237-92-5 | 2-Pyrazineacetic acid, 5-bromo-, methyl ester
CAS No: 1197237-92-5 Catalog No: AG000PKC MDL No:
Product Description
Catalog Number:
AG000PKC
Chemical Name:
2-Pyrazineacetic acid, 5-bromo-, methyl ester
CAS Number:
1197237-92-5
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
IUPAC Name:
methyl 2-(5-bromopyrazin-2-yl)acetate
InChI:
InChI=1S/C7H7BrN2O2/c1-12-7(11)2-5-3-10-6(8)4-9-5/h3-4H,2H2,1H3
InChI Key:
GUQFZEGJAINFNR-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cnc(cn1)Br
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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