3,6-Diethoxy-2-fluorobenzaldehyde

CAT: 0127-PC1018019-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1018019-01Size:250 mg

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CAS Number

2807440-96-4

MDL Number

MFCD34764545

Purity

97%

Smiles

C1c (c (c (c (c1) OCC) F) C=O) OCC

Chemical Information

3,6-Diethoxy-2-fluorobenzaldehyde

CAS Number	2807440-96-4
PubChem CID	164895474
IUPAC Name	3,6-diethoxy-2-fluorobenzaldehyde
Molecular Formula	C11H13FO3
Molecular Weight	212.22
XLogP	2.2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	198

SMILES

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

InChI

InChI=1S/C11H13FO3/c1-3-14-9-5-6-10(15-4-2)11(12)8(9)7-13/h5-7H,3-4H2,1-2H3

InChIKey

TWWMLDPXBBUDDM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2807440-96-4

CID: 164895474

Formula: C11H13FO3

MW: 212.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.22
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	212.08487243
Monoisotopic Mass	212.08487243
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	198
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
PC1018702-01	2,4-Diethoxy-3-fluorobenzaldehyde
PC1021819	3,4-diethoxy-2-fluorobenzaldehyde
OR1090042-01	2,6-Diethoxy-3-iodopyridine
PC906876-01	2,6-Dichloro-3-fluorobenzaldehyde
PC51143-01	2,3-Dichoro-6-fluorobenzaldehyde
PC48653-01	3,6-Dibromo-2-fluorobenzaldehyde
PC302186-01	3,6-Dichloro-2-fluorobenzaldehyde
PC1021953	3,6-Dimethoxy-2-fluorobenzaldehyde
PC48648-01	2,3-Dibromo-6-fluorobenzaldehyde
OR1081410-01	Ethyl 2,6-diethoxy-3-pyridinecarboxylate

Catalog	Name
VDA39995	2,3-Dichloro-6-fluorobenzaldehyde
RLB42061	3,6-Dichloro-2-fluorobenzaldehyde
sc-482459	2,6-Dichloro-3-fluorobenzaldehyde
sc-232151	3,6-Dibromo-2-fluorobenzaldehyde
HTA62814-01	2,3-Dimethoxy-6-fluorobenzaldehyde
FC16013-01	2-Chloro-6-fluorobenzaldehyde
416178-01	2-Bromo-6-fluorobenzaldehyde
PUB80902	6-bromo-3-chloro-2-fluorobenzaldehyde
EMB02203-01	2-Ethyl-6-fluorobenzaldehyde
415341-01	2-Amino-6-fluorobenzaldehyde