3-Ethoxy-5-fluorobenzaldehyde

CAT: 0127-PC540047-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC540047-01Size:100 mg

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CAS Number

1378670-41-7

MDL Number

MFCD18375377

Purity

98%

Smiles

CCOc1cc(F)cc(C=O)c1

Chemical Information

3-Ethoxy-5-fluorobenzaldehyde

CAS Number	1378670-41-7
PubChem CID	91636258
IUPAC Name	3-ethoxy-5-fluorobenzaldehyde
Molecular Formula	C9H9FO2
Molecular Weight	168.16
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	149

SMILES

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

InChI

InChI=1S/C9H9FO2/c1-2-12-9-4-7(6-11)3-8(10)5-9/h3-6H,2H2,1H3

InChIKey

CWMKRMOJSUEPEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378670-41-7

CID: 91636258

Formula: C9H9FO2

MW: 168.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.16
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	168.05865769
Monoisotopic Mass	168.05865769
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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
PC1022212	5-Ethoxy-2-fluorobenzaldehyde
PC1024590-01	5-Chloro-3-ethoxy-2-fluorobenzaldehyde
PC1022157	3-chloro-2-ethoxy-5-fluorobenzaldehyde
PC1012851	3-Bromo-2-ethoxy-5-fluorobenzaldehyde
PC1016176-01	3-Acetyl-5-ethoxy-2-fluorobenzaldehyde
PC1024166-01	5-Bromo-2-ethoxy-3-fluorobenzaldehyde
PC1011409-01	5-Chloro-2-ethoxy-3-fluorobenzaldehyde
PC1016329-01	3-Chloro-5-ethoxy-2-fluorobenzaldehyde
PC1016278	5-bromo-3-ethoxy-2-fluorobenzaldehyde
PC1016215-01	3-Chloro-5-ethoxy-4-fluorobenzaldehyde

Catalog	Name
FAA71035-01	2-Ethoxy-5-fluorobenzaldehyde
425437-01	3-Ethoxy-4-fluorobenzaldehyde
sc-307873	2-Ethoxy-4-fluorobenzaldehyde
432147-01	4-Ethoxy-2-fluorobenzaldehyde
sc-276158	3-Chloro-5-fluorobenzaldehyde
sc-266515	3-Bromo-5-fluorobenzaldehyde
NQC95193-01	4-Bromo-2-ethoxy-6-fluorobenzaldehyde
276758-01	3-Fluorobenzaldehyde
DXC82037-01	2,3-Dichloro-5-fluorobenzaldehyde
906002	3‐FLUOROBENZALDEHYDE