1-chloro-4-(dibromomethyl)benzene

C7H5Br2Cl — CID 3017302

IUPAC1-chloro-4-(dibromomethyl)benzene
SMILESClc1ccc(C(Br)Br)cc1
InChIInChI=1S/C7H5Br2Cl/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyJHUHEBLQVJNTOC-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.13
Rot. Bonds1

About 1-chloro-4-(dibromomethyl)benzene

1-chloro-4-(dibromomethyl)benzene (PubChem CID 3017302) has the molecular formula C7H5Br2Cl and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-chloro-4-(dibromomethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(dibromomethyl)benzene
PubChem CID3017302
Molecular FormulaC7H5Br2Cl
Molecular Weight284.38 g/mol
Exact Mass281.84
IUPAC Name1-chloro-4-(dibromomethyl)benzene
SMILESClc1ccc(C(Br)Br)cc1
InChIInChI=1S/C7H5Br2Cl/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyJHUHEBLQVJNTOC-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
2-bromo-2-(4-chlorophenyl)acetaldehyde
CID 54154255
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-[(1S)-1-bromo-3-chloropropyl]-4-chlorobenzene
CID 99639334
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
CID 70496086
CID 70496086
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
azane;1,4-dichlorobenzene
CID 69330361
(1S,5S)-1,5-dibromo-1,5-bis(4-chlorophenyl)pentan-3-one
CID 174623218
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene
CID 79660642
1-chloro-4-[(2S,3S)-3-(4-chlorophenyl)-1,4-dinitrobutan-2-yl]benzene
CID 135062233

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(dibromomethyl)benzene?
The IUPAC name of 1-chloro-4-(dibromomethyl)benzene (CID 3017302) is 1-chloro-4-(dibromomethyl)benzene.
What is the SMILES notation for 1-chloro-4-(dibromomethyl)benzene?
The canonical SMILES for 1-chloro-4-(dibromomethyl)benzene is Clc1ccc(C(Br)Br)cc1.
What is the InChIKey of 1-chloro-4-(dibromomethyl)benzene?
The InChIKey is JHUHEBLQVJNTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2Cl/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H.
What are the key properties of 1-chloro-4-(dibromomethyl)benzene?
1-chloro-4-(dibromomethyl)benzene has a molecular weight of 284.38 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(dibromomethyl)benzene is sourced from PubChem (CID 3017302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).