2- (acetyloxy) -3-fluorophenyl acetate

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CAS Number

55030-67-6

MDL Number

MFCD00662451

Purity

=95%

Smiles

CC(=O)Oc1cccc(F)c1OC(=O)C

Chemical Information

2-(Acetyloxy)-3-fluorophenyl acetate

CAS Number	55030-67-6
PubChem CID	540078
IUPAC Name	(2-acetyloxy-3-fluorophenyl) acetate
Molecular Formula	C10H9FO4
Molecular Weight	212.17
XLogP	1.5
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	254

SMILES

CC(=O)OC1=C(C(=CC=C1)F)OC(=O)C

InChI

InChI=1S/C10H9FO4/c1-6(12)14-9-5-3-4-8(11)10(9)15-7(2)13/h3-5H,1-2H3

InChIKey

SFTJLHYKOIAVMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55030-67-6

CID: 540078

Formula: C10H9FO4

MW: 212.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.17
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	212.04848693
Monoisotopic Mass	212.04848693
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	254
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
OR22812	2- (acetyloxy) -3-[ (acetyloxy) methyl]-5-methylbenzyl acetate
PC31571	3-[ (acetyloxy) methyl]-2-fluorobenzyl acetate
PC0900-01	3-Fluorophenyl acetate
PC907941-01	Ethyl 2- (3-fluorophenyl) acetate
OR33343-01	4- (Acetyloxy) -2,3,6-trimethylphenyl acetate
PC4739-01	2-Fluorophenyl acetate
OR29228	(acetyloxy) (2-thienyl) methyl acetate
OR29227	(acetyloxy) (2-furyl) methyl acetate
OR1021400	3,5-Bis (acetyloxy) phenyl acetate
PC107332	3-Formylphenyl 2- (4-fluorophenyl) acetate

Catalog	Name
TRC-A167580-100MG	4-(Acetyloxy)-3-methoxybenzenethanol Acetate
161080	4- (Acetyloxy) -3-methoxybenzenethanol Acetate
AP KR 0101-01	(3-acetyloxy-5-methylphenyl) acetate
GTR19271763-01	2- (acetyloxy) -3,6-diphenylcyclohexyl acetate
AP KR 0586-01	(4-acetyloxy-3-methylnaphthalen-1-yl) acetate
YWC04257	4-o-Benzyl-3-acetyloxy tyrosol α-acetate
JH256477	[acetyloxy(phenyl)-λ<sup>3</sup>-iodanyl] acetate
MBS6098315-01	rac all-trans 3-(Acetyloxy) Retinol Acetate
RMB04057-01	2- (Acetyloxy) -4- (3-oxobutanoyl) phenyl acetate
014467	Rac all-trans 3- (Acetyloxy) Retinol Acetate