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161063-23-6 | 1-(4-Bromophenyl)-2-phenyl-1H-pyrrole
CAS No: 161063-23-6 Catalog No: AG01EUA4 MDL No:
Product Description
Catalog Number:
AG01EUA4
Chemical Name:
1-(4-Bromophenyl)-2-phenyl-1H-pyrrole
CAS Number:
161063-23-6
Molecular Formula:
C16H12BrN
Molecular Weight:
298.1772
IUPAC Name:
1-(4-bromophenyl)-2-phenylpyrrole
InChI:
InChI=1S/C16H12BrN/c17-14-8-10-15(11-9-14)18-12-4-7-16(18)13-5-2-1-3-6-13/h1-12H
InChI Key:
SHWOGJAMFCYQDA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1cccc1c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.183g/mol
Monoisotopic Mass:
297.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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