Methyl 3,4-dichlorobenzoate

CAT: 0926-FM69886-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FM69886-01Size:10 g

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CAS Number

2905-68-2

MDL Number

MFCD00018165

Smiles

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

Molecular Formula

C8H6Cl2O2

Molecular Weight

205.04 g/mol

Controlled

Chemical Information

Benzoic acid, 3,4-dichloro-, methyl ester

CAS Number	2905-68-2
PubChem CID	76193
IUPAC Name	methyl 3,4-dichlorobenzoate
Molecular Formula	C8H6Cl2O2
Molecular Weight	205.03
XLogP	3.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3

InChIKey

WICGATIORFSOJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2905-68-2

CID: 76193

Formula: C8H6Cl2O2

MW: 205.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.03
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	203.9744848
Monoisotopic Mass	203.9744848
Topological Polar Surface Area	26.3 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
FM70192-01	Methyl 2,4-dichlorobenzoate
RBA72748	Methyl 4-amino-3,5-dichlorobenzoate
FM71383-01	Methyl 3,5-dichlorobenzoate
FM71283-01	Methyl 2,3-dichlorobenzoate
HJA27549-01	Methyl 4-amino-2,6-dichlorobenzoate
UIB64717-01	Methyl 2-amino-4,5-dichlorobenzoate
XFA49404-01	Methyl 2-amino-4,6-dichlorobenzoate
TDC70203-01	Methyl 5-amino-2,3-dichlorobenzoate
PAA92087	Methyl 2,6-dichlorobenzoate
FC61978-01	Cholesterol 2,4-Dichlorobenzoate

Catalog	Name
OR30159-01	Methyl 3,4-dichlorobenzoate
OR1045168-01	Methyl 3-amino-4,5-dichlorobenzoate
OR81131-01	Methyl 3-bromo-2,4-dichlorobenzoate
OR93834-01	Methyl 4-amino-2,3-dichlorobenzoate
OR1098266	Methyl 4- (benzyloxy) -3,5-dichlorobenzoate
OR1083759	Methyl 4-butoxy-3,5-dichlorobenzoate
OR1096144-01	Methyl 4-bromo-2,3-dichlorobenzoate
OR29697-01	Methyl 2,4-dichlorobenzoate
455119-01	Methyl 3-amino-2,4-dichlorobenzoate
OR6766-01	Methyl 4-amino-3,5-dichlorobenzoate