CAS
914221-47-9 Purity
96%
914221-47-9 Purity
96%
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4-Acetyl-2-bromo-5-fluoro-anisole
CAS
914221-54-8
Catalog Number
ACM914221548
Category
Other Products
Molecular Weight
247.061023 [g/mol]
Molecular Formula
C9H8BrFO2
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Specification
Synonyms
1-(5-Bromo-2-fluoro-4-methoxyphenyl)ethanone, 4-ACETYL-2-BROMO-5-FLUORO-ANISOLE, 1-(5-Bromo-2-fluoro-4-methoxy-phenyl)-ethanone, 914221-54-8, AGN-PC-05IW0I, SureCN9958729, CTK6J8344, ZINC21989380, AKOS015963989, AG-C-23178, AK141697, BC213831, KB-215311
IUPAC Name
1-(5-bromo-2-fluoro-4-methoxyphenyl)ethanone
InChI Key
CIBWOSFBSHBJRB-UHFFFAOYSA-N
Boiling Point
299.2ºC at 760 mmHg
Flash Point
134.8ºC
Density
1.494g/cm³
Exact Mass
245.96900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4-Acetyl-2-bromo-5-fluoro-anisole?
The molecular formula of 4-Acetyl-2-bromo-5-fluoro-anisole is C9H8BrFO2.
When was this compound first created?
This compound was first created on May 28, 2009.
What is the IUPAC name of 4-Acetyl-2-bromo-5-fluoro-anisole?
The IUPAC name of 4-Acetyl-2-bromo-5-fluoro-anisole is 1-(5-bromo-2-fluoro-4-methoxyphenyl)ethanone.
What is the molecular weight of 4-Acetyl-2-bromo-5-fluoro-anisole?
The molecular weight of 4-Acetyl-2-bromo-5-fluoro-anisole is 247.06 g/mol.
What is the Canonical SMILES representation of 4-Acetyl-2-bromo-5-fluoro-anisole?
The Canonical SMILES representation of 4-Acetyl-2-bromo-5-fluoro-anisole is CC(=O)C1=CC(=C(C=C1F)OC)Br.
How many hydrogen bond acceptor count does 4-Acetyl-2-bromo-5-fluoro-anisole have?
4-Acetyl-2-bromo-5-fluoro-anisole has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 4-Acetyl-2-bromo-5-fluoro-anisole?
The topological polar surface area of 4-Acetyl-2-bromo-5-fluoro-anisole is 26.3 Ų.
Does 4-Acetyl-2-bromo-5-fluoro-anisole have any defined atom stereocenter count?
4-Acetyl-2-bromo-5-fluoro-anisole does not have any defined atom stereocenter count.
How many rotatable bond count does 4-Acetyl-2-bromo-5-fluoro-anisole have?
4-Acetyl-2-bromo-5-fluoro-anisole has 2 rotatable bond counts.
Is 4-Acetyl-2-bromo-5-fluoro-anisole a canonicalized compound?
Yes, 4-Acetyl-2-bromo-5-fluoro-anisole is a canonicalized compound.
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