2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene

C8H7Br3 — CID 167556306

IUPAC2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene
SMILES[2H]C([2H])(Br)c1cccc(CBr)c1Br
InChIInChI=1S/C8H7Br3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2/i4D2
InChIKeyHSYMWXREIPJGHX-APZFVMQVSA-N
MW344.87 g/mol
LogP4.24
Rot. Bonds2

About 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene

2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene (PubChem CID 167556306) has the molecular formula C8H7Br3 and a molecular weight of 344.87 g/mol. Its IUPAC name is 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene
PubChem CID167556306
Molecular FormulaC8H7Br3
Molecular Weight344.87 g/mol
Exact Mass341.82
IUPAC Name2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene
SMILES[2H]C([2H])(Br)c1cccc(CBr)c1Br
InChIInChI=1S/C8H7Br3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2/i4D2
InChIKeyHSYMWXREIPJGHX-APZFVMQVSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.24
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

2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene;[2-bromo-3-(hydroxymethyl)phenyl]-dideuteriomethanol
CID 167556305
1-(bromomethyl)-2-[[2-(bromomethyl)phenyl]methyl]benzene
CID 11110991
1,3-bis(bromomethyl)-2-chlorobenzene
CID 612956
1,5,9-tris(bromomethyl)triphenylene
CID 11071234
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
2-bromo-7-(bromomethyl)-1,3-benzoxazole
CID 118997386
1-bromo-2-(bromomethyl)-8-chloronaphthalene
CID 170693796
2-bromo-1,3-diethylbenzene;formonitrile
CID 174727247
1-(bromomethyl)-3-[3-(bromomethyl)-2-methylphenyl]-2-methylbenzene
CID 15335999
[2,6-bis(bromomethyl)phenyl]-tert-butyl-dimethylsilane
CID 141135761
7-(bromomethyl)-1-benzothiophene
CID 10751761
3-bromo-7-(bromomethyl)-2-iodo-1-benzothiophene
CID 130969225

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene?
The IUPAC name of 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene (CID 167556306) is 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene.
What is the SMILES notation for 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene?
The canonical SMILES for 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene is [2H]C([2H])(Br)c1cccc(CBr)c1Br.
What is the InChIKey of 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene?
The InChIKey is HSYMWXREIPJGHX-APZFVMQVSA-N. The full InChI is InChI=1S/C8H7Br3/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2/i4D2.
What are the key properties of 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene?
2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene has a molecular weight of 344.87 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene is sourced from PubChem (CID 167556306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).