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1219956-60-1 | 2-Pyrazinamine, 5-bromo-3-[(2-chlorophenyl)methoxy]-
CAS No: 1219956-60-1 Catalog No: AG0016IL MDL No:
Product Description
Catalog Number:
AG0016IL
Chemical Name:
2-Pyrazinamine, 5-bromo-3-[(2-chlorophenyl)methoxy]-
CAS Number:
1219956-60-1
Molecular Formula:
C11H9BrClN3O
Molecular Weight:
314.5657
IUPAC Name:
5-bromo-3-[(2-chlorophenyl)methoxy]pyrazin-2-amine
InChI:
InChI=1S/C11H9BrClN3O/c12-9-5-15-10(14)11(16-9)17-6-7-3-1-2-4-8(7)13/h1-5H,6H2,(H2,14,15)
InChI Key:
CMHSOWGBSGMAMO-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(n1)OCc1ccccc1Cl)N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.962g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.567g/mol
Monoisotopic Mass:
312.962g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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