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1221715-95-2

1221715-95-2 | 1H-Pyrazole, 1-(3-azetidinyl)-, hydrochloride (1:2)

CAS No: 1221715-95-2 Catalog No: AG0016V9 MDL No:MFCD09864482

Product Description

Catalog Number:
AG0016V9
Chemical Name:
1H-Pyrazole, 1-(3-azetidinyl)-, hydrochloride (1:2)
CAS Number:
1221715-95-2
Molecular Formula:
C6H11Cl2N3
Molecular Weight:
196.0776
MDL Number:
MFCD09864482
IUPAC Name:
1-(azetidin-3-yl)pyrazole;dihydrochloride
InChI:
InChI=1S/C6H9N3.2ClH/c1-2-8-9(3-1)6-4-7-5-6;;/h1-3,6-7H,4-5H2;2*1H
InChI Key:
SOSRZTOMIOCRBU-UHFFFAOYSA-N
SMILES:
N1CC(C1)n1cccn1.Cl.Cl

Properties

Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
196.075g/mol
Monoisotopic Mass:
195.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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