3- (4-Fluorophenyl) pentanedioic acid

CAT: 0127-PC48529-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC48529-01Size:100 mg

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CAS Number

3449-63-6

Synonyms

3- (4-Fluorophenyl) glutaric acid

MDL Number

MFCD19352347

Purity

95%

Smiles

OC(=O)CC(CC(=O)O)c1ccc(F)cc1

Storage Conditions

Store at 2-8°C

Chemical Information

3-(4-Fluorophenyl)pentanedioic acid

CAS Number	3449-63-6
PubChem CID	76990
IUPAC Name	3-(4-fluorophenyl)pentanedioic acid
Molecular Formula	C11H11FO4
Molecular Weight	226.20
XLogP	1.1
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)F

InChI

InChI=1S/C11H11FO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)

InChIKey

CNZZQTFKXGQNLI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3449-63-6

CID: 76990

Formula: C11H11FO4

MW: 226.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.20
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	226.06413699
Monoisotopic Mass	226.06413699
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
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
OR72262-01	3- (4-Chlorophenyl) pentanedioic acid
OR78131-01	3- (4-Bromophenyl) pentanedioic acid
OR1053889-01	3- (4-Nitrophenyl) pentanedioic acid
OR1033351-01	3- (3,4-Dimethoxyphenyl) pentanedioic acid
PC103247-01	3- (2,4-Difluorophenyl) pentanedioic acid
OR89574-01	3- (3-Bromophenyl) pentanedioic acid
OR15499	3- (3-Methoxyphenyl) pentanedioic acid
OR346158	2,4-Dibromo-pentanedioic acid
OR1060967-01	3- (2-Methoxyphenyl) pentanedioic acid
OR79788-01	3- (2-Bromophenyl) pentanedioic acid

Catalog	Name
sc-352151A	2-{[ (4-fluorophenyl) carbamoyl]amino}pentanedioic acid
PXC29388-01	3- (4-Bromo-2-fluorophenyl) pentanedioic acid
AR-B01006-01	3- (4-chlorophenyl) pentanedioic acid
BAA14124-01	3- (4-Bromophenyl) pentanedioic acid
sc-266345	3- (4-Benzyloxyphenyl) pentanedioic acid
QGA11929-01	3-[4- (Benzyloxy) phenyl]pentanedioic acid
TRC-O845280-25MG	3-(Oxan-4-yl)pentanedioic Acid
ZAA86704-01	2-[ (4-Chlorophenyl) methyl]pentanedioic acid
YWC31047-01	3- (Oxan-4-yl) pentanedioic acid
RG-N092037-01	(S) -2- (4-Nitrobenzamido) Pentanedioic Acid