2,3-Difluorophenylacetic acid

CAT: 0926-FD28862-01Size: 10 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD28862-01Size:10 g

Selected

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

Quick Request Actions

CAS Number

145689-41-4

MDL Number

MFCD00040968

Smiles

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

Molecular Formula

C8H6F2O2

Molecular Weight

172.13 g/mol

Controlled

Chemical Information

2,3-Difluorophenylacetic acid

CAS Number	145689-41-4
PubChem CID	520772
IUPAC Name	2-(2,3-difluorophenyl)acetic acid
Molecular Formula	C8H6F2O2
Molecular Weight	172.13
XLogP	1.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)

InChIKey

UXSQXUSJGPVOKT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145689-41-4

CID: 520772

Formula: C8H6F2O2

MW: 172.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.13
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	172.03358575
Monoisotopic Mass	172.03358575
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
FD63975	3,5-Difluorophenylacetic acid
FD66628-01	3,4-Difluorophenylacetic acid
AQB56617-01	4-Chloro-3,5-difluorophenylacetic acid
LAC63258	5-Chloro-2,4-difluorophenylacetic acid
FD83335	Alpha, alpha-Difluorophenylacetic acid
FBA40741-01	2,2,3,3-Tetramethylbutanoic acid
ZBA71452-01	2,2,3-Trimethylbutanoic acid
FD71025-01	2,3-Dimethylbenzoic acid
FD67957-01	2,3-Dimethylphenoxyacetic acid
FD37217-01	2,3-Dibromopropanoic acid

Catalog	Name
272968-01	2,3-Difluorophenylacetic acid
427405-01	3,5-Difluorophenylacetic acid
PC2874D-01	2,6-Difluorophenylacetic acid
PC2874C-01	2,5-Difluorophenylacetic acid
sc-238330	2,4-Difluorophenylacetic acid
sc-254931	α, α-Difluorophenylacetic acid
sc-298976A	3-Chloro-2,4-difluorophenylacetic acid
PC0018-01	3-Chloro-2,6-difluorophenylacetic acid
PC303434-01	6-Bromo-2,3-difluorophenylacetic acid
PC303119-01	3-Butoxy-2,6-difluorophenylacetic acid