3- (4-Chlorophenyl) glutaric acid

CAT: 0926-FC20344-01Size: 0.5 KgDry Ice: NoHazardous: No

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CAT#:0926-FC20344-01Size:0.5 Kg

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CAS Number

35271-74-0

Synonyms

3- (4-Chlorophenyl) pentanedioic acid; b- (p-Chlorophenyl) glutaric acid;3- (p-Chlorophenyl) glutaric acid

MDL Number

MFCD00190249

Smiles

C1=CC (=CC=C1C (CC (=O) O) CC (=O) O) Cl

Molecular Formula

C11H11ClO4

Molecular Weight

242.66 g/mol

Controlled

Chemical Information

3-(4-Chlorophenyl) glutarate

CAS Number	35271-74-0
PubChem CID	607276
IUPAC Name	3-(4-chlorophenyl)pentanedioic acid
Molecular Formula	C11H11ClO4
Molecular Weight	242.65
XLogP	1.8
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	243

SMILES

C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)Cl

InChI

InChI=1S/C11H11ClO4/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

URXVLIVRJJNJII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35271-74-0

CID: 607276

Formula: C11H11ClO4

MW: 242.65

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.65
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	242.0345865
Monoisotopic Mass	242.0345865
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
FC41765-01	3- (4-Chlorophenyl) glutaramic acid
FG02567-01	Glutaric acid
ZDA06893-01	2,4-Dicyano-3-isobutyl-glutaric acid
MCA90314-01	4- (3-Chlorophenyl) -4-oxobutyric acid
KEA60053-01	4- (4-Chlorophenyl) -3-methylbutanoic acid
XAA99105-01	4- (3-Chlorophenyl) butanoic acid
LAC90448-01	4- (4-Chlorophenyl) -3-fluorobenzoic acid
PTB30325-01	4- (4-Chlorophenyl) -3,3-dimethylbutanoic acid
ABA20946-01	3- (4-Chlorophenyl) -3-hydroxypropanoic acid
QAA38696-01	4-[ (3-Chlorophenyl) amino]-4-oxobutanoic acid

Catalog	Name
TRC-C378250-1G	3-(4-Chlorophenyl)glutaric Acid
268495-01	3- (4-Chlorophenyl) glutaric acid
MBS6088245-01	3-(4-Chlorophenyl)glutaric Acid-d4
sc-214109	3- (4-Chlorophenyl-d4) glutaric Acid
006542	3- (4-Chlorophenyl) glutaric Acid-d4
GTR19259115-01	3- (4-fluorophenyl) glutaric acid
TRC-D437770-5G	2,4-Dicyano-3-isobutyl-glutaric Acid
TRC-A619165-250MG	2-(4-Amino-1-oxoisoindolin-2-yl)-glutaric Acid
268496-01	3- (4-Chlorophenyl) glutaric anhydride
MBS6045384-01	3-(4-Chlorophenyl)glutaric Anhydride