Ethyl 4-Chloro-3-hydroxybenzoate

CAT: 0127-OR1003151-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1003151-01Size:250 mg

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CAS Number

335013-90-6

MDL Number

MFCD16250096

Purity

95%

Smiles

CCOC(=O)c1ccc(Cl)c(O)c1

Chemical Information

Ethyl 4-chloro-3-hydroxybenzoate

CAS Number	335013-90-6
PubChem CID	58847555
IUPAC Name	ethyl 4-chloro-3-hydroxybenzoate
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	2.7
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	184

SMILES

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

InChI

InChI=1S/C9H9ClO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3

InChIKey

PFISJNBRAOSYPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 335013-90-6

CID: 58847555

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.0240218
Monoisotopic Mass	200.0240218
Topological Polar Surface Area	46.5 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

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