1-dibromophosphoryl-4-methylbenzene

C7H7Br2OP — CID 154160325

IUPAC1-dibromophosphoryl-4-methylbenzene
SMILESCc1ccc(P(=O)(Br)Br)cc1
InChIInChI=1S/C7H7Br2OP/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKeyOVDUZZKXHOLDCT-UHFFFAOYSA-N
MW297.91 g/mol
LogP3.60
Rot. Bonds1

About 1-dibromophosphoryl-4-methylbenzene

1-dibromophosphoryl-4-methylbenzene (PubChem CID 154160325) has the molecular formula C7H7Br2OP and a molecular weight of 297.91 g/mol. Its IUPAC name is 1-dibromophosphoryl-4-methylbenzene.

Molecular Properties

Compound Name1-dibromophosphoryl-4-methylbenzene
PubChem CID154160325
Molecular FormulaC7H7Br2OP
Molecular Weight297.91 g/mol
Exact Mass295.86
IUPAC Name1-dibromophosphoryl-4-methylbenzene
SMILESCc1ccc(P(=O)(Br)Br)cc1
InChIInChI=1S/C7H7Br2OP/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
InChIKeyOVDUZZKXHOLDCT-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride
CID 153434059
1-difluorophosphoryl-4-methylbenzene
CID 23418656
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
1,2-bis[bis(4-methylphenyl)phosphoryl]benzene
CID 139462616
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
1-bis(4-methylphenyl)phosphoryl-2-chloro-4-methylbenzene
CID 143956101
bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
CID 154663446
N-bis(4-methylphenyl)phosphoryl-N-propan-2-ylpropan-2-amine
CID 156786608
1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
methane;pentakis(1,4-xylene)
CID 160760083
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643

Frequently Asked Questions

What is the IUPAC name of 1-dibromophosphoryl-4-methylbenzene?
The IUPAC name of 1-dibromophosphoryl-4-methylbenzene (CID 154160325) is 1-dibromophosphoryl-4-methylbenzene.
What is the SMILES notation for 1-dibromophosphoryl-4-methylbenzene?
The canonical SMILES for 1-dibromophosphoryl-4-methylbenzene is Cc1ccc(P(=O)(Br)Br)cc1.
What is the InChIKey of 1-dibromophosphoryl-4-methylbenzene?
The InChIKey is OVDUZZKXHOLDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2OP/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3.
What are the key properties of 1-dibromophosphoryl-4-methylbenzene?
1-dibromophosphoryl-4-methylbenzene has a molecular weight of 297.91 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibromophosphoryl-4-methylbenzene is sourced from PubChem (CID 154160325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).