3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride

C14H7BrCl4O2 — CID 91685911

IUPAC3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C14H7BrCl4O2/c15-10-3-8(14(19)20)4-12(18)13(10)21-6-7-1-2-9(16)5-11(7)17/h1-5H,6H2
InChIKeyBHQRBXPTNCFDBK-UHFFFAOYSA-N
MW428.92 g/mol
LogP6.37
Rot. Bonds4

About 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride

3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride (PubChem CID 91685911) has the molecular formula C14H7BrCl4O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride.

Molecular Properties

Compound Name3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
PubChem CID91685911
Molecular FormulaC14H7BrCl4O2
Molecular Weight428.92 g/mol
Exact Mass425.84
IUPAC Name3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
SMILESO=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C14H7BrCl4O2/c15-10-3-8(14(19)20)4-12(18)13(10)21-6-7-1-2-9(16)5-11(7)17/h1-5H,6H2
InChIKeyBHQRBXPTNCFDBK-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91686017
3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorobenzoyl chloride
CID 91685943
3-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 171137566
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682789
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoyl chloride
CID 91682344
3-bromo-5-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzohydrazide
CID 91685924
N-[(Z)-[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-chlorobenzamide
CID 126197958
methyl 3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682249
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
3-bromo-5-chloro-4-[(2-chlorophenyl)methoxy]benzohydrazide
CID 91685973
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
The IUPAC name of 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride (CID 91685911) is 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride.
What is the SMILES notation for 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
The canonical SMILES for 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride is O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
The InChIKey is BHQRBXPTNCFDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl4O2/c15-10-3-8(14(19)20)4-12(18)13(10)21-6-7-1-2-9(16)5-11(7)17/h1-5H,6H2.
What are the key properties of 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride?
3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride has a molecular weight of 428.92 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]benzoyl chloride is sourced from PubChem (CID 91685911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).