(3,4-Dichlorophenyl) acetic acid methyl ester

CAT: 0926-FD71160-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD71160-01Size:50 g

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CAS Number

6725-44-6

MDL Number

MFCD00800680

Smiles

COC (=O) CC1=CC (=C (C=C1) Cl) Cl

Molecular Formula

C9H8Cl2O2

Molecular Weight

219.06 g/mol

Controlled

Chemical Information

Methyl 2-(3,4-dichlorophenyl)acetate

CAS Number	6725-44-6
PubChem CID	1268257
IUPAC Name	methyl 2-(3,4-dichlorophenyl)acetate
Molecular Formula	C9H8Cl2O2
Molecular Weight	219.06
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

COC(=O)CC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C9H8Cl2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3

InChIKey

FWVOAIHAIWHHDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6725-44-6

CID: 1268257

Formula: C9H8Cl2O2

MW: 219.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.06
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	217.9901349
Monoisotopic Mass	217.9901349
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184
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
FB70559-01	4- (Benzyloxyphenyl) acetic acid methyl ester
FH69958-01	(4-Hydroxymethylphenyl) acetic acid methyl ester
QCA05131-01	2-{[ (2,4-Dichlorophenyl) methyl]sulfanyl}acetic acid
FD70067-01	(2,4-Dichlorophenoxy) acetic acid methyl ester
FH70988-01	(3-Hydroxyphenyl) acetic acid methyl ester
TYB70455-01	Amino- (4-ethoxy-phenyl) -acetic acid methyl ester
IDA52816	(4-Amino-phenyl) -acetic acid methyl ester hydrochloride
MXB92921	Morpholine-3-acetic acid methyl ester hydrochloride
GYB24778-01	(4-Chloro-pyridin-2-yl) -acetic acid methyl ester
MBA12824	(2-Methyl-thiazol-4-yl) -acetic acid ethyl ester

Catalog	Name
sc-497225	Dimethoxyphosphinylhydroxy Acetic Acid Methyl Ester
sc-335274	(2-Methyl-allyloxy) -acetic acid methyl ester
sc-269616	Morpholine-3-acetic acid methyl ester
431898-01	(4-Chlorophenyl) acetic Acid Methyl Ester
sc-277644	4-Piperidine acetic acid methyl ester
TRC-C378525-250MG	(4-Chlorophenyl)acetic Acid Methyl Ester
sc-353147A	Cyano-hydroxyimino-acetic acid methyl ester
BIB6073-01	Indole-3-acetic acid methyl ester
003221	Benz[a]anthracene-7-acetic Acid Methyl Ester
431872-01	4-Chloroindole-3-acetic Acid Methyl Ester