Home Halogens 3-(4-bromo-2-chlorophenyl)-1H-pyrazole

3-(4-bromo-2-chlorophenyl)-1H-pyrazole

CAS No.:
1554828-69-1
Catalog Number:
AG01AFTZ
Molecular Formula:
C9H6BrClN2
Molecular Weight:
257.5143
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Product Description
Catalog Number:
AG01AFTZ
Chemical Name:
3-(4-bromo-2-chlorophenyl)-1H-pyrazole
CAS Number:
1554828-69-1
Molecular Formula:
C9H6BrClN2
Molecular Weight:
257.5143
MDL Number:
MFCD24306029
IUPAC Name:
5-(4-bromo-2-chlorophenyl)-1H-pyrazole
InChI:
InChI=1S/C9H6BrClN2/c10-6-1-2-7(8(11)5-6)9-3-4-12-13-9/h1-5H,(H,12,13)
InChI Key:
MXKFPDQKKOGZTO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)c1n[nH]cc1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.515g/mol
Monoisotopic Mass:
255.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties