3-cyclobutyl-2-fluorobenzaldehyde

CAT: 0127-PC1020003-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1020003-01Size:250 mg

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CAS Number

2969256-09-3

MDL Number

MFCD34844776

Purity

97%

Smiles

C1 (cccc (c1F) C=O) C1CCC1

Chemical Information

3-Cyclobutyl-2-fluorobenzaldehyde

CAS Number	2969256-09-3
PubChem CID	177686512
IUPAC Name	3-cyclobutyl-2-fluorobenzaldehyde
Molecular Formula	C11H11FO
Molecular Weight	178.20
XLogP	2.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	189

SMILES

C1CC(C1)C2=CC=CC(=C2F)C=O

InChI

InChI=1S/C11H11FO/c12-11-9(7-13)5-2-6-10(11)8-3-1-4-8/h2,5-8H,1,3-4H2

InChIKey

WIPGOWHDLMLEST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2969256-09-3

CID: 177686512

Formula: C11H11FO

MW: 178.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.20
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	178.079393132
Monoisotopic Mass	178.079393132
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	189
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
PC1010180-01	3- (cyclopropylmethoxy) -2-fluorobenzaldehyde
PC1008843	3-Benzyloxy-2-fluorobenzaldehyde
PC500534-01	2- (Bromomethyl) -3-fluorobenzaldehyde
PC8581-01	3-Bromo-2-fluorobenzaldehyde
PC508029	2- (Difluoromethoxy) -3-fluorobenzaldehyde
PC502204	3- (Difluoromethoxy) -2-fluorobenzaldehyde
PC1010875	3- (Difluoromethyl) -2-fluorobenzaldehyde
PC1016173-01	3-Acetyl-2-fluorobenzaldehyde
PC1010214-01	2-ethyl-3-fluorobenzaldehyde
PC1022852	2-Benzyloxy-3-fluorobenzaldehyde

Catalog	Name
260474-01	2-Amino-3-fluorobenzaldehyde
891180-59-9-01	2-Bromo-3-fluorobenzaldehyde
TZB38503-01	3-Cyclopropoxy-2-fluorobenzaldehyde
424834-01	3-Chloro-2-fluorobenzaldehyde
423183-01	3- (Dimethoxymethyl) -2-fluorobenzaldehyde
sc-260739A	3-Bromo-2-fluorobenzaldehyde
sc-483527	2-Chloro-3-fluorobenzaldehyde
PYB33722-01	2- (Difluoromethoxy) -3-fluorobenzaldehyde
TRC-F588245-25G	2-Fluorobenzaldehyde
276758-01	3-Fluorobenzaldehyde