4-bromo-2-chloro-1-methylbenzene

C7H6BrCl — CID 2735554

IUPAC4-bromo-2-chloro-1-methylbenzene
SMILESCc1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKeyLIFMTDJMLRECMX-UHFFFAOYSA-N
MW205.48 g/mol
LogP3.41
Rot. Bonds

About 4-bromo-2-chloro-1-methylbenzene

4-bromo-2-chloro-1-methylbenzene (PubChem CID 2735554) has the molecular formula C7H6BrCl and a molecular weight of 205.48 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-methylbenzene
PubChem CID2735554
Molecular FormulaC7H6BrCl
Molecular Weight205.48 g/mol
Exact Mass203.93
IUPAC Name4-bromo-2-chloro-1-methylbenzene
SMILESCc1ccc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKeyLIFMTDJMLRECMX-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

alpha-Bromo-o-chlorotoluene
CID 11905
p-Bromobenzyl chloride
CID 68528
Benzene, 2-bromo-1-chloro-4-methyl-
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2-Bromo-5-chlorotoluene
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2-Bromo-4-chloro-1-methylbenzene
CID 609898
5-Bromo-2-chlorotoluene
CID 609899
4-Bromo-2-chlorobenzonitrile
CID 7010420
3-Bromo-5-chlorotoluene
CID 10774638
1-(1-Bromoethyl)-2-chlorobenzene
CID 19828180
1-Bromo-3-chloro-2-(trifluoromethyl)benzene
CID 20269851
4-Bromo-2-chloro-1-ethenylbenzene
CID 57842713
2-Bromo-6-chlorotoluene
CID 123552

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-methylbenzene?
The IUPAC name of 4-bromo-2-chloro-1-methylbenzene (CID 2735554) is 4-bromo-2-chloro-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-chloro-1-methylbenzene?
The canonical SMILES for 4-bromo-2-chloro-1-methylbenzene is Cc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-methylbenzene?
The InChIKey is LIFMTDJMLRECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3.
What are the key properties of 4-bromo-2-chloro-1-methylbenzene?
4-bromo-2-chloro-1-methylbenzene has a molecular weight of 205.48 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-methylbenzene is sourced from PubChem (CID 2735554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).