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207989-45-5 | 2H-Pyrrole, 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-
CAS No: 207989-45-5 Catalog No: AG002JES MDL No:
Product Description
Catalog Number:
AG002JES
Chemical Name:
2H-Pyrrole, 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-
CAS Number:
207989-45-5
Molecular Formula:
C16H12BrF2N
Molecular Weight:
336.1740
IUPAC Name:
2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C16H12BrF2N/c17-11-6-4-10(5-7-11)14-8-9-15(20-14)16-12(18)2-1-3-13(16)19/h1-7,14H,8-9H2
InChI Key:
YRUSDPXROXBLGQ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C1=NC(CC1)c1ccc(cc1)Br)F
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.18g/mol
Monoisotopic Mass:
335.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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