3,5-Difluorobenzophenone

CAT: 0024-sc-266956Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-266956Size:1 g

Selected

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

Quick Request Actions

CAS Number

179113-89-4

Chemical Information

3,5-Difluorobenzophenone

CAS Number	179113-89-4
PubChem CID	569563
IUPAC Name	(3,5-difluorophenyl)-phenylmethanone
Molecular Formula	C13H8F2O
Molecular Weight	218.20
XLogP	3.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

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

InChI

InChI=1S/C13H8F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8H

InChIKey

PNRLNUIMFIMZLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 179113-89-4

CID: 569563

Formula: C13H8F2O

MW: 218.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.20
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	218.05432120
Monoisotopic Mass	218.05432120
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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
sc-266151	2,5-Difluorobenzophenone
sc-231961	3,3'-Difluorobenzophenone
sc-322777	3,5-Dichloro-3',4'-difluorobenzophenone
sc-265984	2,3-Difluorobenzophenone
sc-308742A	2,3'-Difluorobenzophenone
sc-231993	3,4-Difluorobenzophenone
sc-506990	3,4'-Difluorobenzophenone
sc-308742	2,3'-Difluorobenzophenone
sc-323060	4-Chloro-3',4'-difluorobenzophenone
sc-322676	3,4-Dichloro-3',4'-difluorobenzophenone

Catalog	Name
PC2695D-01	3,5-Difluorobenzophenone
PC2351	3-Bromo-3',5'-difluorobenzophenone
PC2594	3-Chloro-3',5'-difluorobenzophenone
PC2358	4-Bromo-3',5'-difluorobenzophenone
PC2491	4-Butyl-3',5'-difluorobenzophenone
PC2693-01	3,3'-Difluorobenzophenone
PC2596	4-Chloro-3',5'-difluorobenzophenone
PC2691-01	2,5-Difluorobenzophenone
PC2694-01	3,4-Difluorobenzophenone
PC2689-01	2,3-Difluorobenzophenone