2-[bromo(phenyl)methyl]-1,3-dichlorobenzene

C13H9BrCl2 — CID 63437122

IUPAC2-[bromo(phenyl)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1C(Br)c1ccccc1
InChIInChI=1S/C13H9BrCl2/c14-13(9-5-2-1-3-6-9)12-10(15)7-4-8-11(12)16/h1-8,13H
InChIKeyRFYQWWYPBWDCEE-UHFFFAOYSA-N
MW316.03 g/mol
LogP5.48
Rot. Bonds2

About 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene

2-[bromo(phenyl)methyl]-1,3-dichlorobenzene (PubChem CID 63437122) has the molecular formula C13H9BrCl2 and a molecular weight of 316.03 g/mol. Its IUPAC name is 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[bromo(phenyl)methyl]-1,3-dichlorobenzene
PubChem CID63437122
Molecular FormulaC13H9BrCl2
Molecular Weight316.03 g/mol
Exact Mass313.93
IUPAC Name2-[bromo(phenyl)methyl]-1,3-dichlorobenzene
SMILESClc1cccc(Cl)c1C(Br)c1ccccc1
InChIInChI=1S/C13H9BrCl2/c14-13(9-5-2-1-3-6-9)12-10(15)7-4-8-11(12)16/h1-8,13H
InChIKeyRFYQWWYPBWDCEE-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.03
LogP ≤ 55.48
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-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
(2R)-2-(2,6-dichlorophenyl)-2-phenylethanamine
CID 125466281
[(2,6-dichlorophenyl)-phenylmethyl]hydrazine
CID 105282940
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
CID 79590906
2-bromo-4-[bromo(phenyl)methyl]-1-chlorobenzene
CID 107991611
5-[bromo-(2,6-dichlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096512
2-[bromo-(4-ethylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 55199917
2-[bromo-(4-butan-2-ylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 63438382
(2-amino-6-chlorophenyl)-phenylmethanol
CID 13329179
2-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chloro-3-fluorobenzene
CID 79747491
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene (CID 63437122) is 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene is Clc1cccc(Cl)c1C(Br)c1ccccc1.
What is the InChIKey of 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene?
The InChIKey is RFYQWWYPBWDCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2/c14-13(9-5-2-1-3-6-9)12-10(15)7-4-8-11(12)16/h1-8,13H.
What are the key properties of 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene?
2-[bromo(phenyl)methyl]-1,3-dichlorobenzene has a molecular weight of 316.03 g/mol, XLogP of 5.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(phenyl)methyl]-1,3-dichlorobenzene is sourced from PubChem (CID 63437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).