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Methyl 4-Chlorobenzoate

CAT: 0572-TRC-M272330-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M272330-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1126-46-1
Synonyms
Benzoic acid, 4-chloro-, methyl ester; Benzoic acid, p-chloro-, methyl ester (6CI,7CI,8CI); 4-(Methoxycarbonyl)chlorobenzene; 4-Carbomethoxyphenyl chloride; 4-Chlorobenzoic acid methyl ester; 5-Chloro-2-benzoic acid methyl ester; Methyl 4-chlorobenzoate; Methyl p-chlorobenzoate; NSC 8366; p-Chlorobenzoic acid methyl ester; Decitabine Related Compound D
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
COC(=O)c1ccc(Cl)cc1
Molecular Formula
C8 H7 Cl O2
Molecular Weight
170.593
InChI
InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
Additionnal Information
IUPAC name: methyl 4-chlorobenzoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 4-chlorobenzoate
CAS Number1126-46-1
PubChem CID14307
IUPAC Namemethyl 4-chlorobenzoate
Molecular FormulaC8H7ClO2
Molecular Weight170.59
XLogP2.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
COC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey
LXNFVVDCCWUUKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-chlorobenzoate
CAS: 1126-46-1
CID: 14307
Formula: C8H7ClO2
MW: 170.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass170.0134572
Monoisotopic Mass170.0134572
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
283106-01Methyl 4-chlorobenzoate
HY-Y0158R-01Methyl 4-chlorobenzoate (Standard)
sc-263503Methyl 2-amino-4-chlorobenzoate
OR1084528-01Methyl 4-benzyloxy-2-chlorobenzoate
OR400102-01Methyl 2-bromo-4-chlorobenzoate
OR75665-01Methyl 4-bromo-3-chlorobenzoate
DXC58366-01Methyl 4-butoxy-2-chlorobenzoate
FM70663-01Methyl 3-amino-4-chlorobenzoate
sc-295427AMethyl 4-borono-3-chlorobenzoate
OR400582-01Methyl 3- (Bromomethyl) -4-chlorobenzoate

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