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120984-76-1 | 2-Bromo-3-methylpyrazine
CAS No: 120984-76-1 Catalog No: AG003GN4 MDL No:MFCD08705769
Product Description
Catalog Number:
AG003GN4
Chemical Name:
2-Bromo-3-methylpyrazine
CAS Number:
120984-76-1
Molecular Formula:
C5H5BrN2
Molecular Weight:
173.0106
MDL Number:
MFCD08705769
IUPAC Name:
2-bromo-3-methylpyrazine
InChI:
InChI=1S/C5H5BrN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChI Key:
NDBBGCAETKIKIC-UHFFFAOYSA-N
SMILES:
Cc1nccnc1Br
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.964g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.013g/mol
Monoisotopic Mass:
171.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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