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5- (4-Bromophenyl) dipyrromethane

CAT: 0024-sc-262298ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-262298ASize:1 g
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CAS Number
159152-11-1

Chemical Information

5-(4-Bromophenyl)dipyrromethane
CAS Number159152-11-1
PubChem CID11833529
IUPAC Name2-[(4-bromophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
Molecular FormulaC15H13BrN2
Molecular Weight301.18
XLogP3.6
Topological Polar Surface Area31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity247
SMILES
C1=CNC(=C1)C(C2=CC=C(C=C2)Br)C3=CC=CN3
InChI
InChI=1S/C15H13BrN2/c16-12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14/h1-10,15,17-18H
InChIKey
SJDXTHJAKNMBFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Bromophenyl)dipyrromethane
CAS: 159152-11-1
CID: 11833529
Formula: C15H13BrN2
MW: 301.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.18
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass300.02621
Monoisotopic Mass300.02621
Topological Polar Surface Area31.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes