3-bromo-5-fluorophenyl acetate

CAT: 0127-PC1022831Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1022831Size:1 Each

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CAS Number

1260846-67-0

MDL Number

MFCD30183267

Purity

97%

Smiles

C1 (cc (cc (c1) OC (=O) C) F) Br

Chemical Information

3-Bromo-5-fluorophenyl acetate

CAS Number	1260846-67-0
PubChem CID	66837213
IUPAC Name	(3-bromo-5-fluorophenyl) acetate
Molecular Formula	C8H6BrFO2
Molecular Weight	233.03
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	174

SMILES

CC(=O)OC1=CC(=CC(=C1)Br)F

InChI

InChI=1S/C8H6BrFO2/c1-5(11)12-8-3-6(9)2-7(10)4-8/h2-4H,1H3

InChIKey

SGUIVYFPXKKWBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1260846-67-0

CID: 66837213

Formula: C8H6BrFO2

MW: 233.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.03
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	231.95352
Monoisotopic Mass	231.95352
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1022773-01	2-Bromo-5-fluorophenyl acetate
PC1018471-01	3-Bromo-4-fluorophenyl acetate
PC510156	Ethyl 2- (2-Bromo-5-fluorophenyl) acetate
PC1013735-01	2-Bromo-4-chloro-5-fluorophenyl acetate
PC1026760-01	Methanone, (3-bromo-5-fluorophenyl) (3-fluorophenyl) -
PC909726-01	Methyl 2- (3-bromo-4-fluorophenyl) acetate
PC1001339-01	Methyl 2- (3-bromo-2-fluorophenyl) acetate
PC909748-01	Methyl 2- (4-bromo-3-fluorophenyl) acetate
PC103804-01	Ethyl 2- (4-bromo-3-fluorophenyl) acetate
PC1018915-01	2-bromo-6-fluorophenyl acetate

Catalog	Name
454723-01	Methyl 2- (3-bromo-5-fluorophenyl) acetate
WBC22382	Ethyl 2- (4-bromo-3-fluorophenyl) acetate
DVA54103-01	Methyl 2-bromo-2- (3-fluorophenyl) acetate
WCA78354	Methyl bromo (4-fluorophenyl) acetate
sc-230010	2-Bromo-4-fluorophenyl acetate
RMC90003-01	Methyl 2-bromo-2- (3-bromo-4-fluorophenyl) acetate
sc-231721	3-Fluorophenyl acetate
FA52314-01	5-Bromo-3-indoxyl-3-acetate
sc-300522	Ethyl (3-bromo-5-fluorobenzoyl) acetate
454711-01	Methyl 2- (2-bromo-6-fluorophenyl) acetate