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157327-47-4 | Pyrrolo[3,4-c]pyrazole, 1,4,5,6-tetrahydro-, hydrochloride (1:2)
CAS No: 157327-47-4 Catalog No: AG001PDI MDL No:MFCD08457551
Product Description
Catalog Number:
AG001PDI
Chemical Name:
Pyrrolo[3,4-c]pyrazole, 1,4,5,6-tetrahydro-, hydrochloride (1:2)
CAS Number:
157327-47-4
Molecular Formula:
C5H9Cl2N3
Molecular Weight:
182.0511
MDL Number:
MFCD08457551
IUPAC Name:
1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride
InChI:
InChI=1S/C5H7N3.2ClH/c1-4-2-7-8-5(4)3-6-1;;/h2,6H,1,3H2,(H,7,8);2*1H
InChI Key:
NTOPLOHNMCXFRE-UHFFFAOYSA-N
SMILES:
N1Cc2c(C1)cn[nH]2.Cl.Cl
Properties
Complexity:
93.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
182.048g/mol
Monoisotopic Mass:
181.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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