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1784831-22-6 |
CAS No: 1784831-22-6 Catalog No: AG01FMQ2 MDL No:
Product Description
Catalog Number:
AG01FMQ2
CAS Number:
1784831-22-6
IUPAC Name:
tert-butyl 3-bromo-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
InChI:
InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H,12,13)
InChI Key:
KGQAIHPYYHKKMN-UHFFFAOYSA-N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.027g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.145g/mol
Monoisotopic Mass:
287.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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