3,4-Dichlorobiphenyl

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Catalog Number
ACM2974927
Product Name
3,4-Dichlorobiphenyl
Structure
Structure
CAS
2974-92-7
Category
Heterocyclic Organic Compound
Synonyms
3,4-Dichlorobiphenyl-d5;3,4-Dichlorobiphenyl (3,4-PCB)
IUPAC Name
1,2-dichloro-4-phenylbenzene
Molecular Weight
223.09g/mol
Molecular Formula
C12H8Cl2
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8H
InChI Key
ZGHQUYZPMWMLBM-UHFFFAOYSA-N
Density
1.249 g/cm³
Solubility
4.07e-07 M
Complexity
175
Covalently-Bonded Unit Count
1
Exact Mass
222.000306g/mol
Formal Charge
0
H-Bond Acceptor
0
H-Bond Donor
0
Heavy Atom Count
14
LogP
5.29 (LogP)
Monoisotopic Mass
222.000306g/mol
NSC Number
249832
Rotatable Bond Count
1
UNII
PSW7P9K6HP
XLogP3
5.3
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