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2137604-71-6 | 4-bromo-3-cyclobutyl-1H-pyrazole hydrochloride
CAS No: 2137604-71-6 Catalog No: AG01ELES MDL No:MFCD31559467
Product Description
Catalog Number:
AG01ELES
Chemical Name:
4-bromo-3-cyclobutyl-1H-pyrazole hydrochloride
CAS Number:
2137604-71-6
Molecular Formula:
C7H10BrClN2
Molecular Weight:
237.5247
MDL Number:
MFCD31559467
IUPAC Name:
4-bromo-5-cyclobutyl-1H-pyrazole;hydrochloride
InChI:
InChI=1S/C7H9BrN2.ClH/c8-6-4-9-10-7(6)5-2-1-3-5;/h4-5H,1-3H2,(H,9,10);1H
InChI Key:
URWZMIYHEQHCSI-UHFFFAOYSA-N
SMILES:
Brc1c[nH]nc1C1CCC1.Cl
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.972g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.525g/mol
Monoisotopic Mass:
235.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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