Home Halogens 1-(azetidin-3-yl)-4-bromo-1H-pyrazole hydrochloride

1-(azetidin-3-yl)-4-bromo-1H-pyrazole hydrochloride

CAS No.:
1201657-76-2
Catalog Number:
AG01EL1V
Molecular Formula:
C6H9BrClN3
Molecular Weight:
238.5128
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Product Description
Catalog Number:
AG01EL1V
Chemical Name:
1-(azetidin-3-yl)-4-bromo-1H-pyrazole hydrochloride
CAS Number:
1201657-76-2
Molecular Formula:
C6H9BrClN3
Molecular Weight:
238.5128
MDL Number:
MFCD31615835
IUPAC Name:
1-(azetidin-3-yl)-4-bromopyrazole;hydrochloride
InChI:
InChI=1S/C6H8BrN3.ClH/c7-5-1-9-10(4-5)6-2-8-3-6;/h1,4,6,8H,2-3H2;1H
InChI Key:
GWWBOLFYZWXRNV-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)C1CNC1.Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.967g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.513g/mol
Monoisotopic Mass:
236.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties