5-Chloro-2-ethoxybenzoic acid

CAT: 0127-OR1006423Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1006423Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

62871-12-9

Purity

95%

Smiles

O=C(O)C1=CC(Cl)=CC=C1OCC

Chemical Information

5-Chloro-2-ethoxybenzoic acid

CAS Number	62871-12-9
PubChem CID	5098570
IUPAC Name	5-chloro-2-ethoxybenzoic acid
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	2.3
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

CCOC1=C(C=C(C=C1)Cl)C(=O)O

InChI

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

InChIKey

IVXINMFQXFEZGO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62871-12-9

CID: 5098570

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	2.3
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

Catalog	Name
OR1085100	2-chloro-5-ethoxybenzoic acid
OR1095320-01	3-chloro-5-ethoxybenzoic acid
OR1080023	2-Chloro-6-ethoxybenzoic acid
OR1084685-01	3-chloro-2-ethoxybenzoic acid
OR1080962	4-Chloro-2-ethoxybenzoic acid
OR470996	2-Chloro-4-ethoxybenzoic acid
OR93743-01	5- (Chlorosulfonyl) -2-ethoxybenzoic acid
OR71191	2-Bromo-5-ethoxybenzoic acid
OR19479	2-Ethoxybenzoic acid
OR470997	3-Chloro-4-ethoxybenzoic acid

Catalog	Name
sc-318541	5-Chloro-2-ethoxybenzoic acid
TRC-A603933-5G	4-Amino-5-chloro-2-ethoxybenzoic Acid
VXB26476-01	4-Chloro-2-ethoxybenzoic acid
TRC-A603587-100MG	4-Amino-5-chloro-2-ethoxybenzoic Acid-d5
ZEB92046-01	4-Butoxy-3-chloro-5-ethoxybenzoic acid
FB119045	5-Bromo-2-ethoxybenzoic acid
TCA70114-01	2-Amino-5-ethoxybenzoic acid
AIA57516	5- (Chlorosulfonyl) -2-ethoxybenzoic acid
FE07766-01	2-Ethoxybenzoic acid
431621-01	4-Chloro-3-ethoxybenzoic acid