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174680-55-8 | 2-Pyrazinamine, 5-bromo-3-(phenylmethyl)-
CAS No: 174680-55-8 Catalog No: AG001ZVD MDL No:
Product Description
Catalog Number:
AG001ZVD
Chemical Name:
2-Pyrazinamine, 5-bromo-3-(phenylmethyl)-
CAS Number:
174680-55-8
Molecular Formula:
C11H10BrN3
Molecular Weight:
264.1212
IUPAC Name:
3-benzyl-5-bromopyrazin-2-amine
InChI:
InChI=1S/C11H10BrN3/c12-10-7-14-11(13)9(15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,13,14)
InChI Key:
ZHWYHVYXEQYEQV-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(n1)Cc1ccccc1)N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.126g/mol
Monoisotopic Mass:
263.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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