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288401-36-5 | Phenol, 2,4-dibromo-6-(1-phenyl-1H-pyrazol-5-yl)-
CAS No: 288401-36-5 Catalog No: AG002WSA MDL No:
Product Description
Catalog Number:
AG002WSA
Chemical Name:
Phenol, 2,4-dibromo-6-(1-phenyl-1H-pyrazol-5-yl)-
CAS Number:
288401-36-5
Molecular Formula:
C15H10Br2N2O
Molecular Weight:
394.0607
IUPAC Name:
2,4-dibromo-6-(2-phenylpyrazol-3-yl)phenol
InChI:
InChI=1S/C15H10Br2N2O/c16-10-8-12(15(20)13(17)9-10)14-6-7-18-19(14)11-4-2-1-3-5-11/h1-9,20H
InChI Key:
DBXFIBDHURQMIK-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)c1ccnn1c1ccccc1)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.914g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.066g/mol
Monoisotopic Mass:
391.916g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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