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75821-70-4 | 1-(4-Bromophenyl)-3-phenylpyrazole-4-propionic acid
CAS No: 75821-70-4 Catalog No: AG003CYG MDL No:MFCD07784414
Product Description
Catalog Number:
AG003CYG
Chemical Name:
1-(4-Bromophenyl)-3-phenylpyrazole-4-propionic acid
CAS Number:
75821-70-4
Molecular Formula:
C18H15BrN2O2
Molecular Weight:
371.2279
MDL Number:
MFCD07784414
IUPAC Name:
3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]propanoic acid
InChI:
InChI=1S/C18H15BrN2O2/c19-15-7-9-16(10-8-15)21-12-14(6-11-17(22)23)18(20-21)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)
InChI Key:
LAQITLKSECQDHZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cn(nc1c1ccccc1)c1ccc(cc1)Br
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.032g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.234g/mol
Monoisotopic Mass:
370.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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