Ethyl 3-Chlorobenzoate

CAT: 1299-RG-E200879-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E200879-01Size:10 mg

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CAS Number

1128-76-3

Synonyms

Ethyl 3-chlorobenzoate

Molecular Formula

C9H9ClO2

Molecular Weight

184.62

Product Name Synonym

Ethyl 3-chlorobenzoate

Chemical Information

Ethyl 3-chlorobenzoate

CAS Number	1128-76-3
PubChem CID	70785
IUPAC Name	ethyl 3-chlorobenzoate
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
XLogP	3.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CCOC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C9H9ClO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey

LVFRSNCBCHABAM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1128-76-3

CID: 70785

Formula: C9H9ClO2

MW: 184.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.62
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	184.0291072
Monoisotopic Mass	184.0291072
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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

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