Benzyl 4-bromobutyl ether

• CAS: 60789-54-0
• Catalog Number: ACM60789540
• Category: Ethers
• Molecular Weight: 243.14g/mol
• Molecular Formula: C11H15BrO
• Synonyms: Benzyl 4-bromobutyl ether;60789-54-0;((4-Bromobutoxy)methyl)benzene;4-bromobutoxymethylbenzene;4-Benzyloxy-1-bromobutane;[(4-bromobutoxy)methyl]benzene;Benzene, [(4-bromobutoxy)methyl]-;4-Benzyloxybutyl Bromide;benzoxybutyl bromide;4-Bromobutylbenzyl ether;ACMC-209mm1;4-benzyloxy-1-bromo-butane;1-Bromo-4-benzyloxy-butane;(4-Bromobutoxymethyl)benzene;(4-bromobutoxymethyl)-benzene;SCHEMBL716935;4-bromobutyl phenylmethyl ether;DTXSID10403129;Benzyl 4-bromobutyl ether, 90%;1-((4-bromobutoxy)methyl)benzene;AMY41827;BCP30976;ZINC2530753;ANW-33575;KM0433;MFCD00155128;AKOS009159006;ACN-049340;GS-5469;MCULE-2844010209;VZ31340;AK113405;DB-053703;B2802;FT-0640712;X2020;4-Bromobutyl phenylmethyl ether;4-Benzyloxy-1-bromobutane;4-bromobutoxymethylbenzene
• IUPAC Name: 4-bromobutoxymethylbenzene
• Canonical SMILES: C1=CC=C(C=C1)COCCCCBr
• InChI: InChI=1S/C11H15BrO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
• InChI Key: ZQRVGYAMRJVUAK-UHFFFAOYSA-N
• Complexity: 111
• Covalently-Bonded Unit Count: 1
• Exact Mass: 242.03063g/mol
• Hazard Statements: H301
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 242.03063g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 6
• Symbol: GHS06
• Topological Polar Surface Area: 9.2Ų
• XLogP3: 3

Custom Q&A

What is the molecular formula of Benzyl 4-bromobutyl ether?

The molecular formula of Benzyl 4-bromobutyl ether is C11H15BrO.

What is the molecular weight of Benzyl 4-bromobutyl ether?

The molecular weight of Benzyl 4-bromobutyl ether is 243.14 g/mol.

What is the IUPAC name of Benzyl 4-bromobutyl ether?

The IUPAC name of Benzyl 4-bromobutyl ether is 4-bromobutoxymethylbenzene.

What is the InChI key of Benzyl 4-bromobutyl ether?

The InChI key of Benzyl 4-bromobutyl ether is ZQRVGYAMRJVUAK-UHFFFAOYSA-N.

What is the canonical SMILES representation of Benzyl 4-bromobutyl ether?

The canonical SMILES representation of Benzyl 4-bromobutyl ether is C1=CC=C(C=C1)COCCCCBr.

What is the CAS number of Benzyl 4-bromobutyl ether?

The CAS number of Benzyl 4-bromobutyl ether is 60789-54-0.

What is the EC number of Benzyl 4-bromobutyl ether?

The EC number of Benzyl 4-bromobutyl ether is 628-289-4.

What is the XLogP3-AA value of Benzyl 4-bromobutyl ether?

The XLogP3-AA value of Benzyl 4-bromobutyl ether is 3.

How many rotatable bonds are there in Benzyl 4-bromobutyl ether?

There are 6 rotatable bonds in Benzyl 4-bromobutyl ether.

Is Benzyl 4-bromobutyl ether a canonicalized compound?

Yes, Benzyl 4-bromobutyl ether is a canonicalized compound.