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2,3'-Dimethylbiphenyl

CAT: 0127-OR70105Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR70105Size:1 g
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CAS Number
611-43-8
MDL Number
MFCD22628915
Purity
98%
Smiles
Cc1cccc(c1)c2ccccc2C

Chemical Information

2,3'-Dimethylbiphenyl
CAS Number611-43-8
PubChem CID69142
IUPAC Name1-methyl-2-(3-methylphenyl)benzene
Molecular FormulaC14H14
Molecular Weight182.26
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity173
SMILES
CC1=CC(=CC=C1)C2=CC=CC=C2C
InChI
InChI=1S/C14H14/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2/h3-10H,1-2H3
InChIKey
UZQLBACCROFUKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3'-Dimethylbiphenyl
CAS: 611-43-8
CID: 69142
Formula: C14H14
MW: 182.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.26
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass182.109550447
Monoisotopic Mass182.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity173
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

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