4- (2,2-difluoroethoxy) benzaldehyde

CAT: 0926-DFA14072-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-DFA14072-01Size:100 mg

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CAS Number

128140-72-7

MDL Number

MFCD12807547

Smiles

C1=CC (=CC=C1C=O) OCC (F) F

Molecular Formula

C9H8F2O2

Molecular Weight

186.16 g/mol

Controlled

Chemical Information

4-(2,2-Difluoroethoxy)benzaldehyde

CAS Number	128140-72-7
PubChem CID	19436202
IUPAC Name	4-(2,2-difluoroethoxy)benzaldehyde
Molecular Formula	C9H8F2O2
Molecular Weight	186.15
XLogP	2.6
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	154

SMILES

C1=CC(=CC=C1C=O)OCC(F)F

InChI

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

InChIKey

MFNUWGXZNWXFAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128140-72-7

CID: 19436202

Formula: C9H8F2O2

MW: 186.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.15
XLogP3	2.6
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	154
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
STA45898-01	3- (2,2-Difluoroethoxy) benzaldehyde
IXB89834-01	4- (2,2-Difluoroethoxy) piperidine
TQB05348-01	2- (2,2-Difluoroethoxy) -4-methylaniline
IXB16757-01	2- (2,2-Difluoroethoxy) -4-fluoroaniline
JXB38953-01	[4- (2,2-Difluoroethoxy) phenyl]methanol
MMB59860-01	4- (2,2-Difluoroethoxy) -3-fluoroaniline
DXB29647-01	3- (2,2-Difluoroethoxy) -4-methoxyaniline
EXB12775-01	4- (2,2-Difluoroethoxy) -3-methoxybenzaldehyde
IXB98708-01	3- (2,2-Difluoroethoxy) -4-methylaniline

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
OR1032402-01	2,2'-Iminobis[benzaldehyde]