5-bromo-1,3-dichloro-2-phenylbenzene

C12H7BrCl2 — CID 54302815

IUPAC5-bromo-1,3-dichloro-2-phenylbenzene
SMILESClc1cc(Br)cc(Cl)c1-c1ccccc1
InChIInChI=1S/C12H7BrCl2/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
InChIKeySFKXKAYXLZSRFJ-UHFFFAOYSA-N
MW302.00 g/mol
LogP5.42
Rot. Bonds1

About 5-bromo-1,3-dichloro-2-phenylbenzene

5-bromo-1,3-dichloro-2-phenylbenzene (PubChem CID 54302815) has the molecular formula C12H7BrCl2 and a molecular weight of 302.00 g/mol. Its IUPAC name is 5-bromo-1,3-dichloro-2-phenylbenzene.

Molecular Properties

Compound Name5-bromo-1,3-dichloro-2-phenylbenzene
PubChem CID54302815
Molecular FormulaC12H7BrCl2
Molecular Weight302.00 g/mol
Exact Mass299.91
IUPAC Name5-bromo-1,3-dichloro-2-phenylbenzene
SMILESClc1cc(Br)cc(Cl)c1-c1ccccc1
InChIInChI=1S/C12H7BrCl2/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H
InChIKeySFKXKAYXLZSRFJ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.00
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 13457416
2-bromo-4-chloro-1-phenylnaphthalene
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CID 68955843
1,3-dibromo-5-phenylbenzene
CID 3014933
6-bromo-4,8-dichloro-2-phenylquinoline
CID 43668562
7-bromo-2,4-dichloro-5-fluoro-3-phenylquinoline
CID 142794408
9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
CID 160714288
2,5-dibromo-1,3-diphenylbenzene
CID 142746562
ethane;2,4,6-trichloro-3-phenylpyridine
CID 91101159
2-bromo-9,10-diphenylanthracene
CID 22247163
1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
CID 157232417
6-bromo-8-chloro-2-phenylquinolin-4-amine
CID 55196336

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dichloro-2-phenylbenzene?
The IUPAC name of 5-bromo-1,3-dichloro-2-phenylbenzene (CID 54302815) is 5-bromo-1,3-dichloro-2-phenylbenzene.
What is the SMILES notation for 5-bromo-1,3-dichloro-2-phenylbenzene?
The canonical SMILES for 5-bromo-1,3-dichloro-2-phenylbenzene is Clc1cc(Br)cc(Cl)c1-c1ccccc1.
What is the InChIKey of 5-bromo-1,3-dichloro-2-phenylbenzene?
The InChIKey is SFKXKAYXLZSRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 5-bromo-1,3-dichloro-2-phenylbenzene?
5-bromo-1,3-dichloro-2-phenylbenzene has a molecular weight of 302.00 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dichloro-2-phenylbenzene is sourced from PubChem (CID 54302815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).