4-cyclohexyl-3-fluorobenzaldehyde

CAT: 0127-PC1012028-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1012028-01Size:250 mg

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CAS Number

1553946-12-5

MDL Number

MFCD28618900

Purity

95%

Smiles

C1c (ccc (c1F) C1CCCCC1) C=O

Chemical Information

4-Cyclohexyl-3-fluorobenzaldehyde

CAS Number	1553946-12-5
PubChem CID	83833412
IUPAC Name	4-cyclohexyl-3-fluorobenzaldehyde
Molecular Formula	C13H15FO
Molecular Weight	206.26
XLogP	4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	211

SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C=O)F

InChI

InChI=1S/C13H15FO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h6-9,11H,1-5H2

InChIKey

UTCVWVLEWFHQID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1553946-12-5

CID: 83833412

Formula: C13H15FO

MW: 206.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.26
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	206.110693260
Monoisotopic Mass	206.110693260
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211
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
PC1015262-01	6-bromo-3-cyclohexyl-2-fluorobenzaldehyde
PC1022432-01	4-Cyclopropyl-3-fluorobenzaldehyde
PC1021394	3-Acetyl-4-fluorobenzaldehyde
PC1828M-01	4-Chloro-3-fluorobenzaldehyde
PC500522-01	3- (Bromomethyl) -4-fluorobenzaldehyde
PC1008815-01	4- (Cyclohexyloxy) -3-fluorobenzaldehyde
PC1025171	4-Ethoxy-3-fluorobenzaldehyde
PC1022926	3-Benzyloxy-4-fluorobenzaldehyde
PC1828G-01	3-Chloro-4-fluorobenzaldehyde
PC508024-01	3- (Difluoromethoxy) -4-fluorobenzaldehyde

Catalog	Name
WQB24069-01	4- (Dimethylamino) -3-fluorobenzaldehyde
TYD-00415-01	4-Bromo-3-fluorobenzaldehyde
267498-01	4-Chloro-3-fluorobenzaldehyde
425437-01	3-Ethoxy-4-fluorobenzaldehyde
007223	3-Cyano-4-fluorobenzaldehyde
sc-231509	3-Bromo-4-fluorobenzaldehyde
424738-01	3-Butoxy-4-fluorobenzaldehyde
PLB67267-01	3-Cyclopropyl-4-fluorobenzaldehyde
CGA72510-01	4- (Diethylamino) -3-fluorobenzaldehyde
PYB37956	4- (Difluoromethoxy) -3-fluorobenzaldehyde