4-Chloro-2-ethoxybenzoic acid

CAT: 0926-VXB26476-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-VXB26476-01Size:100 mg

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CAS Number

1195264-76-6

MDL Number

MFCD14646682

Smiles

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

Molecular Formula

C9H9ClO3

Molecular Weight

200.62 g/mol

Controlled

Chemical Information

4-Chloro-2-ethoxybenzoic acid

CAS Number	1195264-76-6
PubChem CID	18954604
IUPAC Name	4-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=CC(=C1)Cl)C(=O)O

InChI

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

InChIKey

JYELDIDGIRZNPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1195264-76-6

CID: 18954604

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
FA71234-01	4-Amino-5-chloro-2-ethoxybenzoic acid
FE54831-01	4-Ethoxybenzoic acid
ZEB92046-01	4-Butoxy-3-chloro-5-ethoxybenzoic acid
FE07766-01	2-Ethoxybenzoic acid
FD66766-01	2,3-Difluoro-4-ethoxybenzoic acid
FB70283-01	3-Bromo-4-ethoxybenzoic acid
AKB25649-01	3-Amino-4-ethoxybenzoic acid
LUA99479-01	4- (Allyloxy) -2-bromo-5-ethoxybenzoic acid
QQB68938-01	2-Amino-3-ethoxybenzoic acid
FB119045	5-Bromo-2-ethoxybenzoic acid

Catalog	Name
OR1080962	4-Chloro-2-ethoxybenzoic acid
OR470996	2-Chloro-4-ethoxybenzoic acid
OR470997	3-Chloro-4-ethoxybenzoic acid
431621-01	4-Chloro-3-ethoxybenzoic acid
OR1085100	2-chloro-5-ethoxybenzoic acid
OR1006423	5-Chloro-2-ethoxybenzoic acid
OR1080023	2-Chloro-6-ethoxybenzoic acid
TRC-A603933-5G	4-Amino-5-chloro-2-ethoxybenzoic Acid
OR1084685-01	3-chloro-2-ethoxybenzoic acid
TRC-A603587-100MG	4-Amino-5-chloro-2-ethoxybenzoic Acid-d5