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2,3',5-Trichlorobiphenyl

CAT: 0926-NBA44481-01Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0926-NBA44481-01Size:5 mL
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CAS Number
38444-81-4
Smiles
C1=CC (=CC (=C1) Cl) C2=C (C=CC (=C2) Cl) Cl
Molecular Formula
C12H7Cl3
Molecular Weight
257.5 g/mol
Controlled
Yes

Chemical Information

2,3',5-Trichlorobiphenyl

2,3',5-trichlorobiphenyl is a trichlorobiphenyl that is 1,4-dichlorobenzene in which one of the hydrogens has been replaced by a 3-chlorophenyl group. It is a dichlorobenzene, a trichlorobiphenyl and a member of monochlorobenzenes.

CAS Number38444-81-4
PubChem CID38033
IUPAC Name1,4-dichloro-2-(3-chlorophenyl)benzene
Molecular FormulaC12H7Cl3
Molecular Weight257.5
XLogP5.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity207
SMILES
C1=CC(=CC(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H
InChIKey
ONNCPBRWFSKDMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3',5-Trichlorobiphenyl
CAS: 38444-81-4
CID: 38033
Formula: C12H7Cl3
MW: 257.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.5
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass255.961333
Monoisotopic Mass255.961333
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity207
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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