Home Halogens 4-bromo-3-iodo-1-methyl-1H-pyrazole

4-bromo-3-iodo-1-methyl-1H-pyrazole

CAS No.:
1504936-04-2
Catalog Number:
AG01BBUS
Molecular Formula:
C4H4BrIN2
Molecular Weight:
286.8964
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Product Description
Catalog Number:
AG01BBUS
Chemical Name:
4-bromo-3-iodo-1-methyl-1H-pyrazole
CAS Number:
1504936-04-2
Molecular Formula:
C4H4BrIN2
Molecular Weight:
286.8964
MDL Number:
MFCD23768820
IUPAC Name:
4-bromo-3-iodo-1-methylpyrazole
InChI:
InChI=1S/C4H4BrIN2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChI Key:
GTKBPHHQPCLNAL-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)I)Br
Properties
Complexity:
90.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.86g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.898g/mol
Monoisotopic Mass:
285.86g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties