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Home > Bromides > 1172057-73-6
1172057-73-6 | 1,2,4-Triazolo[4,3-a]pyrazine, 3-bromo-5,6,7,8-tetrahydro-, hydrochloride (1:1)
CAS No: 1172057-73-6 Catalog No: AG000DXE MDL No:MFCD09259954
Product Description
Catalog Number:
AG000DXE
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine, 3-bromo-5,6,7,8-tetrahydro-, hydrochloride (1:1)
CAS Number:
1172057-73-6
Molecular Formula:
C5H8BrClN4
Molecular Weight:
239.5008
MDL Number:
MFCD09259954
IUPAC Name:
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
InChI:
InChI=1S/C5H7BrN4.ClH/c6-5-9-8-4-3-7-1-2-10(4)5;/h7H,1-3H2;1H
InChI Key:
FUJPMJNDLCTNEF-UHFFFAOYSA-N
SMILES:
Brc1nnc2n1CCNC2.Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.962g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.501g/mol
Monoisotopic Mass:
237.962g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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