1,3-bis(bromomethyl)-2-chlorobenzene

C8H7Br2Cl — CID 612956

IUPAC1,3-bis(bromomethyl)-2-chlorobenzene
SMILESClc1c(CBr)cccc1CBr
InChIInChI=1S/C8H7Br2Cl/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChIKeyYHSHGVABTKZEKC-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.13
Rot. Bonds2

About 1,3-bis(bromomethyl)-2-chlorobenzene

1,3-bis(bromomethyl)-2-chlorobenzene (PubChem CID 612956) has the molecular formula C8H7Br2Cl and a molecular weight of 298.41 g/mol. Its IUPAC name is 1,3-bis(bromomethyl)-2-chlorobenzene.

Molecular Properties

Compound Name1,3-bis(bromomethyl)-2-chlorobenzene
PubChem CID612956
Molecular FormulaC8H7Br2Cl
Molecular Weight298.41 g/mol
Exact Mass295.86
IUPAC Name1,3-bis(bromomethyl)-2-chlorobenzene
SMILESClc1c(CBr)cccc1CBr
InChIInChI=1S/C8H7Br2Cl/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChIKeyYHSHGVABTKZEKC-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
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

1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
1-[3-(bromomethyl)-2-chlorophenyl]-1-chloropropan-2-one
CID 130837007
5-(bromomethyl)-1,4-dichloronaphthalene
CID 67907571
1-(bromomethyl)-3-chloro-2-ethylbenzene
CID 22641961
1,5,9-tris(bromomethyl)triphenylene
CID 11071234
7-(bromomethyl)-3-chloro-2-methyl-1-benzothiophene
CID 130788277
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
CID 11110991
1-(bromomethyl)-3-chloro-2-(1-methylcyclopropyl)benzene
CID 118117376
1-bromo-3-(2-chloro-3-ethylphenyl)propan-2-one
CID 134616222
4-(bromomethyl)-2-chloro-1-benzothiophene
CID 14780509
2-benzyl-1-(bromomethyl)-3-chlorobenzene
CID 154147704
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(bromomethyl)-2-chlorobenzene?
The IUPAC name of 1,3-bis(bromomethyl)-2-chlorobenzene (CID 612956) is 1,3-bis(bromomethyl)-2-chlorobenzene.
What is the SMILES notation for 1,3-bis(bromomethyl)-2-chlorobenzene?
The canonical SMILES for 1,3-bis(bromomethyl)-2-chlorobenzene is Clc1c(CBr)cccc1CBr.
What is the InChIKey of 1,3-bis(bromomethyl)-2-chlorobenzene?
The InChIKey is YHSHGVABTKZEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2Cl/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2.
What are the key properties of 1,3-bis(bromomethyl)-2-chlorobenzene?
1,3-bis(bromomethyl)-2-chlorobenzene has a molecular weight of 298.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(bromomethyl)-2-chlorobenzene is sourced from PubChem (CID 612956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).