1- (2,2-Diethoxyethoxy) -2-fluorobenzene

CAT: 0926-NCC71261-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NCC71261-01Size:250 mg

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CAS Number

1313712-61-6

MDL Number

MFCD18848551

Smiles

CCOC (COC1=CC=CC=C1F) OCC

Molecular Formula

C12H17FO3

Molecular Weight

228.26 g/mol

Controlled

Chemical Information

1-(2,2-Diethoxyethoxy)-2-fluorobenzene

CAS Number	1313712-61-6
PubChem CID	57361148
IUPAC Name	1-(2,2-diethoxyethoxy)-2-fluorobenzene
Molecular Formula	C12H17FO3
Molecular Weight	228.26
XLogP	2.6
Topological Polar Surface Area	27.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	172

SMILES

CCOC(COC1=CC=CC=C1F)OCC

InChI

InChI=1S/C12H17FO3/c1-3-14-12(15-4-2)9-16-11-8-6-5-7-10(11)13/h5-8,12H,3-4,9H2,1-2H3

InChIKey

QUAGZJIIKHPNPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1313712-61-6

CID: 57361148

Formula: C12H17FO3

MW: 228.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.26
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	228.11617256
Monoisotopic Mass	228.11617256
Topological Polar Surface Area	27.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	172
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
CWC89541-01	4-Bromo-2- (2,2-diethoxyethoxy) -1-fluorobenzene
HBA43831-01	(2,2-Diethoxyethoxy) benzene
CDA09247-01	2- (2,2-Diethoxyethoxy) propane
YAA14521-01	2- (2,2-Diethoxyethoxy) benzaldehyde
BDA53471-01	2- (2,2-Diethoxyethoxy) ethanamine
YDA16629-01	3- (2,2-Diethoxyethoxy) prop-1-yne
REB29008-01	1- (2,2-Diethoxyethoxy) -4- (trifluoromethyl) benzene
RBA96404-01	1-Chloro-4- (2,2-diethoxyethoxy) benzene
ZJC98860-01	1- (Ethenyloxy) -2-fluorobenzene
DZB78441-01	1-Difluoromethanesulfonyl-2-fluorobenzene

Catalog	Name
PC105498	1- (2,2-diethoxyethoxy) -2-fluorobenzene
PC1005842-01	1- (2,2-Diethoxyethoxy) -4-fluorobenzene
PC1025814-01	1-Chloro-2- (2,2-diethoxyethoxy) -4-fluorobenzene
PC1025624-01	1-Bromo-4- (2,2-diethoxyethoxy) -2-fluorobenzene
PC510010	1-Bromo-2- (2,2-diethoxyethoxy) -4-fluorobenzene
PC300795	4-Bromo-1- (2,2-diethoxyethoxy) -2-fluorobenzene
PC300752-01	2-Bromo-1- (2,2-diethoxyethoxy) -4-fluorobenzene
PC300794	4-Bromo-2- (2,2-diethoxyethoxy) -1-fluorobenzene
OR27218	(2,2-Diethoxyethoxy) benzene
OR1096244	1- (2,2-diethoxyethoxy) -2-methylbenzene