3- (2,2-Difluoroethoxy) benzaldehyde

CAT: 0926-STA45898-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-STA45898-01Size:250 mg

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CAS Number

467458-98-6

MDL Number

MFCD12807548

Smiles

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

Molecular Formula

C9H8F2O2

Molecular Weight

186.16 g/mol

Controlled

Chemical Information

3-(2,2-Difluoroethoxy)benzaldehyde

CAS Number	467458-98-6
PubChem CID	21071453
IUPAC Name	3-(2,2-difluoroethoxy)benzaldehyde
Molecular Formula	C9H8F2O2
Molecular Weight	186.15
XLogP	2.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

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

InChI

InChI=1S/C9H8F2O2/c10-9(11)6-13-8-3-1-2-7(4-8)5-12/h1-5,9H,6H2

InChIKey

MBMWQKCLNFZJSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 467458-98-6

CID: 21071453

Formula: C9H8F2O2

MW: 186.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.15
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	186.04923582
Monoisotopic Mass	186.04923582
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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
JXB20270-01	2- (2,2-Difluoroethoxy) benzaldehyde
DFA14072-01	4- (2,2-difluoroethoxy) benzaldehyde
ZZB99912-01	3-Bromo-2- (difluoromethoxy) benzaldehyde
FEB94979-01	2-Difluoromethoxy-3-methoxy-benzaldehyde
MMB60310-01	3- (2,2-Difluoroethoxy) aniline
JCC60219-01	3- (2,2-Difluoroethoxy) propanenitrile
JXB53170-01	2- (2,2-Difluoroethoxy) -3-methoxybenzaldehyde
DWB16578-01	3,5-Dichloro-2- (difluoromethoxy) benzaldehyde
MMB59860-01	4- (2,2-Difluoroethoxy) -3-fluoroaniline
VLC30692-01	3- (2,2-Difluoroethoxy) propanoic acid

Catalog	Name
PC500920	2- (2,2-Difluoroethoxy) benzaldehyde
PC500930-01	3- (2,2-Difluoroethoxy) benzaldehyde
PC500940	4- (2,2-Difluoroethoxy) benzaldehyde
PC1023861-01	4-Bromo-2- (2,2-difluoroethoxy) benzaldehyde
PC502305	3- (2,2-Difluoroethoxy) -4- (trifluoromethyl) benzaldehyde
OR1100001	2- (2-Phenylethoxy) benzaldehyde
OR1095603-01	2- (2-Methylpropoxy) benzaldehyde
sc-485498	2- (2-Hydroxyethoxy) benzaldehyde
OR1080948	2- (2-methoxyethyl) benzaldehyde
OR1085276-01	2- (2,2-Dimethylpropoxy) benzaldehyde