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1394004-04-6 | 4H-Pyrrolo[3,4-d]thiazole, 2-bromo-5,6-dihydro-, hydrochloride (1:1)
CAS No: 1394004-04-6 Catalog No: AG001AYB MDL No:
Product Description
Catalog Number:
AG001AYB
Chemical Name:
4H-Pyrrolo[3,4-d]thiazole, 2-bromo-5,6-dihydro-, hydrochloride (1:1)
CAS Number:
1394004-04-6
Molecular Formula:
C5H6BrClN2S
Molecular Weight:
241.5365
IUPAC Name:
2-bromo-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;hydrochloride
InChI:
InChI=1S/C5H5BrN2S.ClH/c6-5-8-3-1-7-2-4(3)9-5;/h7H,1-2H2;1H
InChI Key:
HQOSJIWOAPHYRY-UHFFFAOYSA-N
SMILES:
Brc1sc2c(n1)CNC2.Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.912g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.531g/mol
Monoisotopic Mass:
239.912g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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