2'-Fluoro acetophenone

CAT: 0926-FF33640-02Size: 0.25 kgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FF33640-02Size:0.25 kg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

445-27-2

MDL Number

MFCD00000320

Smiles

CC (=O) C1=CC=CC=C1F

Molecular Formula

C8H7FO

Molecular Weight

138.14 g/mol

Controlled

Chemical Information

o-Fluoroacetophenone

structure in first source

CAS Number	445-27-2
PubChem CID	96744
IUPAC Name	1-(2-fluorophenyl)ethanone
Molecular Formula	C8H7FO
Molecular Weight	138.14
XLogP	1.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	133

SMILES

CC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

InChIKey

QMATYTFXDIWACW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 445-27-2

CID: 96744

Formula: C8H7FO

MW: 138.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.14
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	138.048093005
Monoisotopic Mass	138.048093005
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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
QBA28151	3'-Fluoro-2- (3-fluorophenyl) acetophenone
NAA37252-01	3'-Fluoro-4'- (methylsulphonyl) acetophenone
FT64543-01	2'- (Trifluoromethyl) acetophenone
QDA53647-01	Acetophenone
FC67815-01	4'- (2-Chloroethyl) acetophenone
EBA95526-01	2- (3-Methoxyphenyl) acetophenone
GAA33283	2- (4-Chlorophenyl) acetophenone
AFA77094	Acetophenone-13C6
FB70626-01	4- (2-Bromoethyl) -acetophenone technical
FT70931-01	(2',4',6'-Trimethyl) acetophenone

Catalog	Name
276663-01	2'-Fluoro acetophenone
421143-01	2'-Fluoro-3'- (trifluoromethyl) acetophenone
sc-256370A	2'-Fluoro-4'- (trifluoromethyl) acetophenone
PC4371M-01	2'-Fluoro-5'- (trifluoromethyl) acetophenone
PC4371P-01	4'-Fluoro-2'- (trifluoromethyl) acetophenone
PC501388-01	5'-Fluoro-2'- (methylsulfonyl) acetophenone
PC501903	6’-Fluoro-2’- (methylsulphonyl) acetophenone
PC501391	3'-Fluoro-2'- (methylsulfonyl) acetophenone
PC7223	4'-Fluoro-2- (methylsulphonyl) acetophenone
PC51175-01	2'-Fluoro-3'- (trifluoromethoxy) acetophenone