2,4-Diethoxy-3-fluorobenzaldehyde

CAT: 0127-PC1018702-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1018702-01Size:250 mg

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CAS Number

2901086-40-4

MDL Number

MFCD34766934

Purity

97%

Smiles

C1 (ccc (c (c1F) OCC) C=O) OCC

Chemical Information

2,4-Diethoxy-3-fluorobenzaldehyde

CAS Number	2901086-40-4
PubChem CID	175272225
IUPAC Name	2,4-diethoxy-3-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)C=O)OCC)F

InChI

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

InChIKey

QRXKEANJYVRORX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2901086-40-4

CID: 175272225

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
PC1021819	3,4-diethoxy-2-fluorobenzaldehyde
PC1018019-01	3,6-Diethoxy-2-fluorobenzaldehyde
PC110376-01	3,4-Dichloro-2-fluorobenzaldehyde
PC53011	3-Fluorobenzaldehyde 2,4-dinitrophenylhydrazone
PC908001-01	2,4-Dichloro-3-fluorobenzaldehyde
PC1004551-01	2,4-Dibromo-3-fluorobenzaldehyde
PC1025297	2,3-Dichloro-4-fluorobenzaldehyde
PC101539-01	3,4-Dibromo-2-fluorobenzaldehyde
PC1021613	2,4-dimethoxy-3-fluorobenzaldehyde
PC1004681-01	2,3-Dibromo-4-fluorobenzaldehyde

Catalog	Name
VDA82588-01	3,4-Diethoxy-2-fluoroaniline
VIB90707-01	2,3-Dichloro-4-fluorobenzaldehyde
sc-496833	3-Fluorobenzaldehyde 2,4-dinitrophenylhydrazone
sc-273824	2- (3,4-Diethoxy-phenyl) -ethylamine
DXB78606-01	4- (2-Chloro-4-nitrophenoxy) -3-fluorobenzaldehyde
TFA70630-01	4,4-Diethoxy-3-hydroxybutanenitrile
KHD04153-01	2-Amino-4-bromo-3-fluorobenzaldehyde
HY-132963S-01	3-Fluorobenzaldehyde 2,4-dinitrophenylhydrazone-d3
sc-299014A	3-Cyano-4-dimethylamino-2-fluorobenzaldehyde
PYB35805-01	4- (Difluoromethoxy) -2-fluorobenzaldehyde