CAS 13029-09-9 | 1,1'-Biphenyl, 2,2'-dibromo- | CAS Number 13029-09-9

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13029-09-9 | 1,1'-Biphenyl, 2,2'-dibromo-

CAS No: 13029-09-9 Catalog No: AG000U8F MDL No:MFCD00093707

Product Description

Catalog Number:

AG000U8F

Chemical Name:

1,1'-Biphenyl, 2,2'-dibromo-

CAS Number:

13029-09-9

Molecular Formula:

C12H8Br2

Molecular Weight:

311.9999

MDL Number:

MFCD00093707

IUPAC Name:

1-bromo-2-(2-bromophenyl)benzene

InChI:

InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

InChI Key:

DRKHIWKXLZCAKP-UHFFFAOYSA-N

SMILES:

Brc1ccccc1c1ccccc1Br

UNII:

GSL06P6P2L

NSC Number:

91566

Properties

Complexity:

161

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.897g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.004g/mol

Monoisotopic Mass:

309.899g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1

Literature

Title	Journal
Synthesis and structural characterization of 9-azido-9-borafluorene: monomer and cyclotrimer of a borole azide.	Inorganic chemistry 20100517
Synthesis of unsymmetrically substituted biaryls via sequential lithiation of dibromobiaryls using integrated microflow systems.	Beilstein journal of organic chemistry 20090101
Selective monolithiation of dibromobiaryls using microflow systems.	Organic letters 20080918
Prediction of ligand binding affinity and orientation of xenoestrogens to the estrogen receptor by molecular dynamics simulations and the linear interaction energy method.	Journal of medicinal chemistry 20040212