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723286-80-4 | tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CAS No: 723286-80-4 Catalog No: AG003NDD MDL No:MFCD08448169
Product Description
Catalog Number:
AG003NDD
Chemical Name:
tert-Butyl 3-bromo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CAS Number:
723286-80-4
Molecular Formula:
C10H15BrN4O2
Molecular Weight:
303.1557
MDL Number:
MFCD08448169
IUPAC Name:
tert-butyl 3-bromo-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
InChI:
InChI=1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-13-8(15)11/h4-6H2,1-3H3
InChI Key:
SSOWVJRCWPTTLK-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)nnc2Br)OC(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.16g/mol
Monoisotopic Mass:
302.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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