1,3-dibromo-2-chloro-4-(chloromethyl)benzene

C7H4Br2Cl2 — CID 171009765

IUPAC1,3-dibromo-2-chloro-4-(chloromethyl)benzene
SMILESClCc1ccc(Br)c(Cl)c1Br
InChIInChI=1S/C7H4Br2Cl2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,3H2
InChIKeyFRYYDQUVLZHIOH-UHFFFAOYSA-N
MW318.82 g/mol
LogP4.60
Rot. Bonds1

About 1,3-dibromo-2-chloro-4-(chloromethyl)benzene

1,3-dibromo-2-chloro-4-(chloromethyl)benzene (PubChem CID 171009765) has the molecular formula C7H4Br2Cl2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 1,3-dibromo-2-chloro-4-(chloromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-chloro-4-(chloromethyl)benzene
PubChem CID171009765
Molecular FormulaC7H4Br2Cl2
Molecular Weight318.82 g/mol
Exact Mass315.81
IUPAC Name1,3-dibromo-2-chloro-4-(chloromethyl)benzene
SMILESClCc1ccc(Br)c(Cl)c1Br
InChIInChI=1S/C7H4Br2Cl2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,3H2
InChIKeyFRYYDQUVLZHIOH-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-chloro-1-(chloromethyl)-4-fluorobenzene
CID 131587310
1,3-dibromo-4-(chloromethyl)-2-(difluoromethoxy)benzene
CID 118990809
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
CID 130877169
6-bromo-3-(chloromethyl)-2-fluorophenol
CID 131216679
2-bromo-1-(2,4-dibromo-3-chlorophenyl)ethanone
CID 171009965
3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
CID 84804289
1-bromo-4-(chloromethyl)-3-iodo-2-methoxybenzene
CID 171010289
1,4-dibromo-2-chloro-3-methylbenzene
CID 44891208
(4-bromo-2-chloro-3-fluorophenyl)methanol
CID 117351692
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
2-(3,6-dibromo-2-chlorophenyl)acetic acid
CID 171009622
2-(2-bromo-3,4-dichlorophenyl)acetic acid
CID 54442363

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-chloro-4-(chloromethyl)benzene?
The IUPAC name of 1,3-dibromo-2-chloro-4-(chloromethyl)benzene (CID 171009765) is 1,3-dibromo-2-chloro-4-(chloromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-chloro-4-(chloromethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-chloro-4-(chloromethyl)benzene is ClCc1ccc(Br)c(Cl)c1Br.
What is the InChIKey of 1,3-dibromo-2-chloro-4-(chloromethyl)benzene?
The InChIKey is FRYYDQUVLZHIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2Cl2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-2H,3H2.
What are the key properties of 1,3-dibromo-2-chloro-4-(chloromethyl)benzene?
1,3-dibromo-2-chloro-4-(chloromethyl)benzene has a molecular weight of 318.82 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-chloro-4-(chloromethyl)benzene is sourced from PubChem (CID 171009765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).