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2- (3-Bromophenyl) -naphthalene

CAT: 0127-OR80528-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR80528-01Size:1 g
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CAS Number
667940-23-0
MDL Number
MFCD16658911
Purity
98%
Smiles
BrC1=CC(C2=CC=C3C=CC=CC3=C2)=CC=C1

Chemical Information

2-(3-Bromophenyl)naphthalene
CAS Number667940-23-0
PubChem CID23080773
IUPAC Name2-(3-bromophenyl)naphthalene
Molecular FormulaC16H11Br
Molecular Weight283.16
XLogP5.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity250
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC(=CC=C3)Br
InChI
InChI=1S/C16H11Br/c17-16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H
InChIKey
FWPXWVYUNHYGPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromophenyl)naphthalene
CAS: 667940-23-0
CID: 23080773
Formula: C16H11Br
MW: 283.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.16
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass282.00441
Monoisotopic Mass282.00441
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity250
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