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Structure

4-Bromo-1-chloro-2-(4-ethoxybenzyl)benzene

CAS
461432-23-5
Catalog Number
ACM461432235
Category
Bromine Series
Molecular Weight
325.628060 [g/mol]
Molecular Formula
C15H14BrClO

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Specification

Synonyms
5-bromo-2-chloro-4'-ethoxydiphenylmethane;Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-;4-(5-Bromo-2-chlorobenzyl)phenyl ethyl ether
IUPAC Name
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
Canonical SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl
InChI Key
ZUNCHZBITMUSRD-UHFFFAOYSA-N
Boiling Point
392.976ºC at 760 mmHg
Flash Point
191.465ºC
Density
1.371g/cm³
EC Number
928-048-6
Exact Mass
323.99200
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of the compound?

The molecular formula is C15H14BrClO.

What is the molecular weight of the compound?

The molecular weight is 325.63 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene.

What is the InChI of the compound?

The InChI is InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3.

What is the InChIKey of the compound?

The InChIKey is ZUNCHZBITMUSRD-UHFFFAOYSA-N.

What is the SMILES notation of the compound?

The SMILES notation is CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl.

What is the CAS number of the compound?

The CAS number is 461432-23-5.

What is the EC number of the compound?

The EC number is 636-921-5.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID60433931.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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