Home Halogens 1-(4-bromobutyl)-4-chloro-1H-pyrazole

1-(4-bromobutyl)-4-chloro-1H-pyrazole

CAS No.:
132449-90-2
Catalog Number:
AG01DH2L
Molecular Formula:
C7H10BrClN2
Molecular Weight:
237.5247
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Product Description
Catalog Number:
AG01DH2L
Chemical Name:
1-(4-bromobutyl)-4-chloro-1H-pyrazole
CAS Number:
132449-90-2
Molecular Formula:
C7H10BrClN2
Molecular Weight:
237.5247
MDL Number:
MFCD12822888
IUPAC Name:
1-(4-bromobutyl)-4-chloropyrazole
InChI:
InChI=1S/C7H10BrClN2/c8-3-1-2-4-11-6-7(9)5-10-11/h5-6H,1-4H2
InChI Key:
YCMLLCRHFLBVDU-UHFFFAOYSA-N
SMILES:
Clc1cn(nc1)CCCCBr
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
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:
0
Isotope Atom Count:
0
Molecular Weight:
237.525g/mol
Monoisotopic Mass:
235.972g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties