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Home Halogens 1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid

1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid

CAS No.:
870704-03-3
Catalog Number:
AG003CYD
Molecular Formula:
C18H14BrClN2O2
Molecular Weight:
405.6730
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 97% (HPLC)
1 week
United States
$162
- +
5g
≥ 97% (HPLC)
1 week
United States
$550
- +
10g
≥ 97% (HPLC)
1 week
United States
$1018
- +
Product Description
Catalog Number:
AG003CYD
Chemical Name:
1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid
CAS Number:
870704-03-3
Molecular Formula:
C18H14BrClN2O2
Molecular Weight:
405.6730
MDL Number:
MFCD08276798
IUPAC Name:
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]propanoic acid
InChI:
InChI=1S/C18H14BrClN2O2/c19-14-4-8-16(9-5-14)22-11-13(3-10-17(23)24)18(21-22)12-1-6-15(20)7-2-12/h1-2,4-9,11H,3,10H2,(H,23,24)
InChI Key:
CRCKLQOTWRGUSH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cn(nc1c1ccc(cc1)Cl)c1ccc(cc1)Br
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.993g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
405.676g/mol
Monoisotopic Mass:
403.993g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties