2-bromo-2-(3-bromophenyl)acetyl chloride

C8H5Br2ClO — CID 18951135

IUPAC2-bromo-2-(3-bromophenyl)acetyl chloride
SMILESO=C(Cl)C(Br)c1cccc(Br)c1
InChIInChI=1S/C8H5Br2ClO/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H
InChIKeyQBTRFDORVUNHQO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.65
Rot. Bonds2

About 2-bromo-2-(3-bromophenyl)acetyl chloride

2-bromo-2-(3-bromophenyl)acetyl chloride (PubChem CID 18951135) has the molecular formula C8H5Br2ClO and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-bromo-2-(3-bromophenyl)acetyl chloride.

Molecular Properties

Compound Name2-bromo-2-(3-bromophenyl)acetyl chloride
PubChem CID18951135
Molecular FormulaC8H5Br2ClO
Molecular Weight312.39 g/mol
Exact Mass309.84
IUPAC Name2-bromo-2-(3-bromophenyl)acetyl chloride
SMILESO=C(Cl)C(Br)c1cccc(Br)c1
InChIInChI=1S/C8H5Br2ClO/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H
InChIKeyQBTRFDORVUNHQO-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-3-(3-bromophenyl)propanoic acid
CID 11150960
2-(3-bromophenyl)-2-hydroxyacetic acid
CID 2757028
4-(3-bromophenyl)-4-chlorobutanoic acid
CID 103440218
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
4-(3-bromophenyl)pent-1-yn-3-one
CID 123650502
1-(3-bromophenyl)-1-fluoropropan-2-one
CID 89296594
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
3-(3-bromophenyl)-2-methylbutanoic acid
CID 130820149
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-bromophenyl)acetyl chloride?
The IUPAC name of 2-bromo-2-(3-bromophenyl)acetyl chloride (CID 18951135) is 2-bromo-2-(3-bromophenyl)acetyl chloride.
What is the SMILES notation for 2-bromo-2-(3-bromophenyl)acetyl chloride?
The canonical SMILES for 2-bromo-2-(3-bromophenyl)acetyl chloride is O=C(Cl)C(Br)c1cccc(Br)c1.
What is the InChIKey of 2-bromo-2-(3-bromophenyl)acetyl chloride?
The InChIKey is QBTRFDORVUNHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2ClO/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H.
What are the key properties of 2-bromo-2-(3-bromophenyl)acetyl chloride?
2-bromo-2-(3-bromophenyl)acetyl chloride has a molecular weight of 312.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3-bromophenyl)acetyl chloride is sourced from PubChem (CID 18951135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).