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4-Benzylbiphenyl

CAT: 0926-FB62589-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FB62589-01Size:5 g
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CAS Number
613-42-3
Synonyms
4-Phenyldiphenylmethane
MDL Number
MFCD00041831
Smiles
C1=CC=C (C=C1) CC2=CC=C (C=C2) C3=CC=CC=C3
Molecular Formula
C19H16
Molecular Weight
244.33 g/mol
Controlled
No

Chemical Information

p-Benzylbiphenyl
CAS Number613-42-3
PubChem CID69174
IUPAC Name1-benzyl-4-phenylbenzene
Molecular FormulaC19H16
Molecular Weight244.3
XLogP5.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity237
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16/c1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18/h1-14H,15H2
InChIKey
AGPLQTQFIZBOLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Benzylbiphenyl
CAS: 613-42-3
CID: 69174
Formula: C19H16
MW: 244.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight244.3
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass244.125200510
Monoisotopic Mass244.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count19
Formal Charge0
Complexity237
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