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1260879-75-1 | 2-Pyrazinamine, 5-bromo-3-ethynyl-6-methyl-
CAS No: 1260879-75-1 Catalog No: AG000RIG MDL No:
Product Description
Catalog Number:
AG000RIG
Chemical Name:
2-Pyrazinamine, 5-bromo-3-ethynyl-6-methyl-
CAS Number:
1260879-75-1
Molecular Formula:
C7H6BrN3
Molecular Weight:
212.0466
IUPAC Name:
5-bromo-3-ethynyl-6-methylpyrazin-2-amine
InChI:
InChI=1S/C7H6BrN3/c1-3-5-7(9)10-4(2)6(8)11-5/h1H,2H3,(H2,9,10)
InChI Key:
FQRKPIHQHAKISO-UHFFFAOYSA-N
SMILES:
C#Cc1nc(Br)c(nc1N)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.975g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.05g/mol
Monoisotopic Mass:
210.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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