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Trans-4-Bromostilbene

CAT: 0127-OR1015282-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1015282-01Size:250 mg
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CAS Number
13041-70-8
MDL Number
MFCD00155020
Purity
98%
Smiles
BrC1=CC=C(C=C1)/C=C/C2=CC=CC=C2

Chemical Information

1-Bromo-4-(2-phenylethenyl)benzene
CAS Number13041-70-8
PubChem CID601389
IUPAC Name1-bromo-4-(2-phenylethenyl)benzene
Molecular FormulaC14H11Br
Molecular Weight259.14
XLogP5.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity195
SMILES
C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H11Br/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H
InChIKey
ZZMMKLVIBZWGPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-4-(2-phenylethenyl)benzene
CAS: 13041-70-8
CID: 601389
Formula: C14H11Br
MW: 259.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.14
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass258.00441
Monoisotopic Mass258.00441
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-4866724-Bromostilbene
FD66672-013,5-Dihydroxy-4'-bromostilbene
sc-272701Trans, trans-4'-Propylbicyclohexyl-4-yl 4- (trans-4-pentylcyclohexyl) -benzoate
sc-272685Trans, trans-4- (trans-4-Propylcyclohexyl) -phenyl 4'-propylbicyclohexyl-4-carboxylate
sc-272684Trans, trans-4- (trans-4-Propylcyclohexyl) -phenyl 4'-pentylbicyclohexyl-4-carboxylate
sc-272702Trans, trans-4'-Propylbicyclohexyl-4-yl 4- (trans-4-propylcyclohexyl) -benzoate
sc-272683Trans, trans-4- (trans-4-Pentylcyclohexyl) -phenyl 4'-propylbicyclohexyl-4-carboxylate
TRC-H653550-75MGtrans,trans-4-Heptylbicyclohexyl-4-nitrile
sc-2615124- (trans-4-Propylcyclohexyl) -phenyl trans-4-propylcyclohexanecarboxylate
sc-272690Trans, trans-4-Pentylphenyl 4'-propylbicyclohexyl-4-carboxylate

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