1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene

C9H7Br3 — CID 87377327

IUPAC1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene
SMILESCC(=C(Br)Br)c1ccccc1Br
InChIInChI=1S/C9H7Br3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKeyARABAJUKSRNFQY-UHFFFAOYSA-N
MW354.87 g/mol
LogP4.93
Rot. Bonds1

About 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene

1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene (PubChem CID 87377327) has the molecular formula C9H7Br3 and a molecular weight of 354.87 g/mol. Its IUPAC name is 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene
PubChem CID87377327
Molecular FormulaC9H7Br3
Molecular Weight354.87 g/mol
Exact Mass351.81
IUPAC Name1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene
SMILESCC(=C(Br)Br)c1ccccc1Br
InChIInChI=1S/C9H7Br3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-5H,1H3
InChIKeyARABAJUKSRNFQY-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.87
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 121220826
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3,3-dibromo-2-(2-bromophenyl)prop-2-enenitrile
CID 135038265
N'-[(Z)-[amino-(2-bromophenyl)methylidene]amino]-2-bromobenzenecarboximidamide
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CID 135084466
1-bromo-2-[(2Z,4Z)-2-bromohepta-2,4,6-trien-3-yl]benzene
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1-bromo-2-(1,1-dibromooct-1-en-2-yl)benzene
CID 101459435
1-bromo-2-[(Z)-2-bromo-1,2-diphenylethenyl]benzene
CID 138971079
2-bromo-1-(2-bromophenyl)ethanone
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CID 68911907

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene?
The IUPAC name of 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene (CID 87377327) is 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene?
The canonical SMILES for 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene is CC(=C(Br)Br)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene?
The InChIKey is ARABAJUKSRNFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br3/c1-6(9(11)12)7-4-2-3-5-8(7)10/h2-5H,1H3.
What are the key properties of 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene?
1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene has a molecular weight of 354.87 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene is sourced from PubChem (CID 87377327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).