2'- (4-Fluorobenzyloxy) acetophenone

CAT: 0127-PC10254Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

400878-24-2

MDL Number

MFCD03001269

Purity

=95%

Smiles

CC(=O)c1ccccc1OCc2ccc(F)cc2

Chemical Information

1-(2-((4-Fluorophenyl)methoxy)phenyl)ethanone

CAS Number	400878-24-2
PubChem CID	737910
IUPAC Name	1-[2-[(4-fluorophenyl)methoxy]phenyl]ethanone
Molecular Formula	C15H13FO2
Molecular Weight	244.26
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	272

SMILES

CC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FO2/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3

InChIKey

GVLDMYWQSWDCMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 400878-24-2

CID: 737910

Formula: C15H13FO2

MW: 244.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.26
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	244.08995782
Monoisotopic Mass	244.08995782
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	272
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
PC6706	4'- (2-Chloro-6-fluorobenzyloxy) acetophenone
PC10149	4- (2-Fluorobenzyloxy) benzonitrile
PC412405-01	4- (2'-Fluorobenzyloxy) phenylboronic acid
PC412404-01	2- (4'-Fluorobenzyloxy) phenylboronic acid
PC9440-01	4- (4-Fluorobenzyloxy) benzaldehyde
OR1046605-01	2- (4-Methoxyphenyl) acetophenone
BUP14138-01	4'- (2-Methylpropyl) acetophenone
OR1043176-01	2- (4-Bromophenyl) acetophenone
OR24032	4'- (2,4-Dichlorophenoxy) acetophenone
OR4544-01	2- (4-Toluenesulphonyl) acetophenone

Catalog	Name
sc-262234	4'- (4-Fluorobenzyloxy) acetophenone
sc-323287	4'- (3-Fluorobenzyloxy) acetophenone
sc-322106	2'- (3-Fluorobenzyloxy) acetophenone
BRA89283-01	4'- (Pentafluorosulfur) acetophenone
TRC-M329080-1G	4-(Methylsulfonyl)acetophenone
sc-323291A	4'- (Ethylthio) acetophenone
sc-262236	4'- (Ethylsulphonyl) acetophenone
sc-233093	4'- (Trifluoromethoxy) acetophenone
FA72057-01	4-Acetophenone oxime
abx183479-01	4-(Trifluoromethyl)acetophenone