1-bromo-2-[(2-bromophenyl)methyl]benzene

C13H10Br2 — CID 12699971

IUPAC1-bromo-2-[(2-bromophenyl)methyl]benzene
SMILESBrc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C13H10Br2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKeyHNRCLMRGWPGLIS-UHFFFAOYSA-N
MW326.03 g/mol
LogP4.80
Rot. Bonds2

About 1-bromo-2-[(2-bromophenyl)methyl]benzene

1-bromo-2-[(2-bromophenyl)methyl]benzene (PubChem CID 12699971) has the molecular formula C13H10Br2 and a molecular weight of 326.03 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromophenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromophenyl)methyl]benzene
PubChem CID12699971
Molecular FormulaC13H10Br2
Molecular Weight326.03 g/mol
Exact Mass323.91
IUPAC Name1-bromo-2-[(2-bromophenyl)methyl]benzene
SMILESBrc1ccccc1Cc1ccccc1Br
InChIInChI=1S/C13H10Br2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2
InChIKeyHNRCLMRGWPGLIS-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.03
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-bromophenyl)methyl]benzene?
The IUPAC name of 1-bromo-2-[(2-bromophenyl)methyl]benzene (CID 12699971) is 1-bromo-2-[(2-bromophenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-2-[(2-bromophenyl)methyl]benzene?
The canonical SMILES for 1-bromo-2-[(2-bromophenyl)methyl]benzene is Brc1ccccc1Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2-bromophenyl)methyl]benzene?
The InChIKey is HNRCLMRGWPGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8H,9H2.
What are the key properties of 1-bromo-2-[(2-bromophenyl)methyl]benzene?
1-bromo-2-[(2-bromophenyl)methyl]benzene has a molecular weight of 326.03 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-bromophenyl)methyl]benzene is sourced from PubChem (CID 12699971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).