5'-Bromo-2'-fluoroacetophenone - CAS 198477-89-3

Catalog:	BB015350
Product Name:	5'-Bromo-2'-fluoroacetophenone
CAS:	198477-89-3
Synonyms:	1-(5-bromo-2-fluorophenyl)ethanone; 1-(5-bromo-2-fluorophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(5-bromo-2-fluorophenyl)ethanone
Description:	5'-Bromo-2'-fluoroacetophenone (CAS# 198477-89-3) is a useful research chemical.
Molecular Weight:	217.04
Molecular Formula:	C8H6BrFO
Canonical SMILES:	CC(=O)C1=C(C=CC(=C1)Br)F
InChI:	InChI=1S/C8H6BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChI Key:	XNRQIHIOKXQSPG-UHFFFAOYSA-N
Boiling Point:	251.017 °C at 760 mmHg
Density:	1.535 g/cm³
MDL:	MFCD11226880
LogP:	2.79080

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H302 (70%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95861
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4