4-Butoxy-2-fluorobenzaldehyde

CAT: 0127-PC1013665-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1013665-01Size:250 mg

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CAS Number

1841513-49-2

MDL Number

MFCD34759373

Purity

97%

Smiles

C1c (cc (c (c1) C=O) F) OCCCC

Chemical Information

4-Butoxy-2-fluorobenzaldehyde

CAS Number	1841513-49-2
PubChem CID	88245055
IUPAC Name	4-butoxy-2-fluorobenzaldehyde
Molecular Formula	C11H13FO2
Molecular Weight	196.22
XLogP	2.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	173

SMILES

CCCCOC1=CC(=C(C=C1)C=O)F

InChI

InChI=1S/C11H13FO2/c1-2-3-6-14-10-5-4-9(8-13)11(12)7-10/h4-5,7-8H,2-3,6H2,1H3

InChIKey

IUWVAPHIMQKSFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1841513-49-2

CID: 88245055

Formula: C11H13FO2

MW: 196.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.22
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	196.08995782
Monoisotopic Mass	196.08995782
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	173
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
PC1010865	2-Butoxy-4-fluorobenzaldehyde
PC1010197-01	2-tert-Butoxy-4-fluorobenzaldehyde
PC1024254	4-Butoxy-3-fluorobenzaldehyde
PC900174	3-Butoxy-4-fluorobenzaldehyde
PC1012499	2-Butoxy-6-fluorobenzaldehyde
PC1017761-01	4,6-Dibromo-3-butoxy-2-fluorobenzaldehyde
PC1015713-01	6-Bromo-3-butoxy-2-fluorobenzaldehyde
PC1017669-01	3-Bromo-6-butoxy-2-fluorobenzaldehyde
PC303054	3-Butoxy-6-chloro-2-fluorobenzaldehyde
PC1015850	3-Bromo-2-butoxy-6-fluorobenzaldehyde

Catalog	Name
424738-01	3-Butoxy-4-fluorobenzaldehyde
PYB35805-01	4- (Difluoromethoxy) -2-fluorobenzaldehyde
FC03941	2-Chloro-4-fluorobenzaldehyde
sc-277195	4-Chloro-2-fluorobenzaldehyde
sc-307873	2-Ethoxy-4-fluorobenzaldehyde
sc-321045	2- (Cyclopropylmethoxy) -4-fluorobenzaldehyde
sc-256694	4-Bromo-2-fluorobenzaldehyde
sc-259609A	2-Bromo-4-fluorobenzaldehyde
sc-496839	4-Fluorobenzaldehyde 2,4-dinitrophenylhydrazone
279840-01	2-Hydroxy-4-fluorobenzaldehyde