2-bromo-1,3-dichlorobenzene;formaldehyde

C7H5BrCl2O — CID 174574164

IUPAC2-bromo-1,3-dichlorobenzene;formaldehyde
SMILESC=O.Clc1cccc(Cl)c1Br
InChIInChI=1S/C6H3BrCl2.CH2O/c7-6-4(8)2-1-3-5(6)9;1-2/h1-3H;1H2
InChIKeyPNPZEYMYVSZFFL-UHFFFAOYSA-N
MW255.93 g/mol
LogP3.57
Rot. Bonds

About 2-bromo-1,3-dichlorobenzene;formaldehyde

2-bromo-1,3-dichlorobenzene;formaldehyde (PubChem CID 174574164) has the molecular formula C7H5BrCl2O and a molecular weight of 255.93 g/mol. Its IUPAC name is 2-bromo-1,3-dichlorobenzene;formaldehyde.

Molecular Properties

Compound Name2-bromo-1,3-dichlorobenzene;formaldehyde
PubChem CID174574164
Molecular FormulaC7H5BrCl2O
Molecular Weight255.93 g/mol
Exact Mass253.89
IUPAC Name2-bromo-1,3-dichlorobenzene;formaldehyde
SMILESC=O.Clc1cccc(Cl)c1Br
InChIInChI=1S/C6H3BrCl2.CH2O/c7-6-4(8)2-1-3-5(6)9;1-2/h1-3H;1H2
InChIKeyPNPZEYMYVSZFFL-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.93
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-[(2-bromo-3-chlorophenyl)disulfanyl]-3-chlorobenzene
CID 87179313
N-(2-bromo-3-chlorophenyl)formamide
CID 103480075
tris(2-bromo-3-chlorophenyl) phosphate
CID 87948325
2-bromo-3-chlorobenzenediazonium
CID 103482045
2-bromo-1-(2-bromophenyl)-3-chlorobenzene
CID 175669907
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712
1,5-bis(2-bromo-3-chlorophenyl)pentan-3-one
CID 150068742
2-bromo-3-chloro-N-methylbenzamide
CID 69377341
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichlorobenzene;formaldehyde?
The IUPAC name of 2-bromo-1,3-dichlorobenzene;formaldehyde (CID 174574164) is 2-bromo-1,3-dichlorobenzene;formaldehyde.
What is the SMILES notation for 2-bromo-1,3-dichlorobenzene;formaldehyde?
The canonical SMILES for 2-bromo-1,3-dichlorobenzene;formaldehyde is C=O.Clc1cccc(Cl)c1Br.
What is the InChIKey of 2-bromo-1,3-dichlorobenzene;formaldehyde?
The InChIKey is PNPZEYMYVSZFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrCl2.CH2O/c7-6-4(8)2-1-3-5(6)9;1-2/h1-3H;1H2.
What are the key properties of 2-bromo-1,3-dichlorobenzene;formaldehyde?
2-bromo-1,3-dichlorobenzene;formaldehyde has a molecular weight of 255.93 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichlorobenzene;formaldehyde is sourced from PubChem (CID 174574164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).