4- (4-Fluorophenoxy) -3-methylbenzaldehyde

CAT: 0127-PC1025540Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC1025540Size:1 Each

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CAS Number

1270878-66-4

MDL Number

MFCD17304742

Purity

97%

Smiles

C1 (c (ccc (c1) C=O) Oc1ccc (cc1) F) C

Chemical Information

4-(4-Fluorophenoxy)-3-methylbenzaldehyde

CAS Number	1270878-66-4
PubChem CID	53467938
IUPAC Name	4-(4-fluorophenoxy)-3-methylbenzaldehyde
Molecular Formula	C14H11FO2
Molecular Weight	230.23
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

CC1=C(C=CC(=C1)C=O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C14H11FO2/c1-10-8-11(9-16)2-7-14(10)17-13-5-3-12(15)4-6-13/h2-9H,1H3

InChIKey

PVXKOZFSVGIBKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1270878-66-4

CID: 53467938

Formula: C14H11FO2

MW: 230.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.23
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	230.07430775
Monoisotopic Mass	230.07430775
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
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
OR1098263	3-Isopropoxy-4-methylbenzaldehyde
OR957014-01	4-Chloro-3-methylbenzaldehyde
PC0339-01	3-Fluoro-4-methylbenzaldehyde
PC0340-01	4-Fluoro-3-methylbenzaldehyde
OR55732-01	3-Iodo-4-methylbenzaldehyde
OR303163-01	4- (Benzyloxy) -3-methylbenzaldehyde
OR1085906	3- (Methoxymethoxy) -4-methylbenzaldehyde
OR1084711	3-Ethoxy-4-methylbenzaldehyde
OR1038843-01	4-Ethoxy-3-methylbenzaldehyde
OR0410-01	4- (Dimethylamino) -3-methylbenzaldehyde

Catalog	Name
TKC03503-01	4-Cyclopropyl-3-methylbenzaldehyde
FB68056-01	4-Bromo-3-methylbenzaldehyde
424342-01	3-Bromo-4-methylbenzaldehyde
sc-323045A	4-Chloro-3-methylbenzaldehyde
abx181180-01	4-Methoxy-3-methylbenzaldehyde
sc-261037	3-Methoxy-4-methylbenzaldehyde
TRC-H946075-10G	4-Hydroxy-3-methylbenzaldehyde
GTR19255074-01	3-Hydroxy-4-methylbenzaldehyde
432382-01	4-Fluoro-3-methylbenzaldehyde
sc-226071	3-Fluoro-4-methylbenzaldehyde