5-ethoxy-2,4-difluorobenzaldehyde

CAT: 0127-PC1014684-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1014684-01Size:250 mg

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CAS Number

2092187-03-4

MDL Number

MFCD33403862

Purity

97%

Smiles

C1 (c (cc (c (c1) C=O) F) F) OCC

Chemical Information

5-Ethoxy-2,4-difluorobenzaldehyde

CAS Number	2092187-03-4
PubChem CID	131337676
IUPAC Name	5-ethoxy-2,4-difluorobenzaldehyde
Molecular Formula	C9H8F2O2
Molecular Weight	186.15
XLogP	1.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	175

SMILES

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

InChI

InChI=1S/C9H8F2O2/c1-2-13-9-3-6(5-12)7(10)4-8(9)11/h3-5H,2H2,1H3

InChIKey

SLKIOTSVQXBECY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2092187-03-4

CID: 131337676

Formula: C9H8F2O2

MW: 186.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.15
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	186.04923582
Monoisotopic Mass	186.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175
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
PC1023052	2-Ethoxy-4,5-difluorobenzaldehyde
PC1022168-01	4-Ethoxy-2,5-difluorobenzaldehyde
PC1022167	3-Ethoxy-4,5-difluorobenzaldehyde
PC302748-01	4-Ethoxy-3,5-difluorobenzaldehyde
PC302677-01	2-Ethoxy-3,5-difluorobenzaldehyde
PC1016434	5-Bromo-4-ethoxy-2,3-difluorobenzaldehyde
PC302721-01	3-Ethoxy-2,4-difluorobenzaldehyde
PC302746-01	4-Ethoxy-2,6-difluorobenzaldehyde
PC7167-01	4-Ethoxy-2,3-difluorobenzaldehyde
PC99076-01	2-Ethoxy-3,4-difluorobenzaldehyde

Catalog	Name
sc-357732A	4-Ethoxy-2,3-difluorobenzaldehyde
431569-01	4-Chloro-2,5-difluorobenzaldehyde
JH272174	4-Bromo-2,5-difluorobenzaldehyde
ZDA35741-01	4- (Dimethylamino) -2,5-difluorobenzaldehyde
FB158617-01	2-Bromo-4,5-difluorobenzaldehyde
GTR19164871-01	2,4-Difluorobenzaldehyde
FD64014-01	2,5-Difluorobenzaldehyde
KFA56422	4-Bromo-3,5-difluorobenzaldehyde
161305	4-Chloro-3,5-difluorobenzaldehyde
abx180416-01	3-Bromo-4,5-difluorobenzaldehyde