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1242339-08-7 | 1H-Pyrazole, 1-(3-pyrrolidinyl)-, hydrochloride (1:2)
CAS No: 1242339-08-7 Catalog No: AG000LQ0 MDL No:MFCD16039347
Product Description
Catalog Number:
AG000LQ0
Chemical Name:
1H-Pyrazole, 1-(3-pyrrolidinyl)-, hydrochloride (1:2)
CAS Number:
1242339-08-7
Molecular Formula:
C7H13Cl2N3
Molecular Weight:
210.1042
MDL Number:
MFCD16039347
IUPAC Name:
1-pyrrolidin-3-ylpyrazole;dihydrochloride
InChI:
InChI=1S/C7H11N3.2ClH/c1-3-9-10(5-1)7-2-4-8-6-7;;/h1,3,5,7-8H,2,4,6H2;2*1H
InChI Key:
PZKMEMAZEUPNEB-UHFFFAOYSA-N
SMILES:
C1NCC(C1)n1cccn1.Cl.Cl
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.102g/mol
Monoisotopic Mass:
209.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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