1,2-Diethoxy-3-fluorobenzene

CAT: 0127-PC1003936-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1003936-01Size:1 g

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CAS Number

226555-35-7

MDL Number

MFCD15146834

Purity

95%

Smiles

CCOC1=C(F)C=CC=C1OCC

Chemical Information

1,2-Diethoxy-3-fluorobenzene

CAS Number	226555-35-7
PubChem CID	22460126
IUPAC Name	1,2-diethoxy-3-fluorobenzene
Molecular Formula	C10H13FO2
Molecular Weight	184.21
XLogP	2.7
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	141

SMILES

CCOC1=C(C(=CC=C1)F)OCC

InChI

InChI=1S/C10H13FO2/c1-3-12-9-7-5-6-8(11)10(9)13-4-2/h5-7H,3-4H2,1-2H3

InChIKey

CDXFDHFMNGZBGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 226555-35-7

CID: 22460126

Formula: C10H13FO2

MW: 184.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.21
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	184.08995782
Monoisotopic Mass	184.08995782
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	141
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
PC1023490-01	1,4-Diethoxy-2-fluorobenzene
PC1024412-01	1,2-diethoxy-4-fluorobenzene
PC1018333-01	1-Bromo-2,4-diethoxy-3-fluorobenzene
PC1015176-01	2-bromo-1,3-diethoxy-5-fluorobenzene
PC1003950-01	1,2-Dibromo-4,5-diethoxy-3-fluorobenzene
PC1021876-01	1- (3,3-Diethoxy-1-propyn-1-yl) -4-fluorobenzene
OR1095593-01	1,3-diethoxy-2-methylbenzene
OR1029809-01	1,3-Diethoxy-2-Propanol
PC1005106-01	1- (3-Bromopropyl) -2-fluorobenzene
PC99907-01	1,3-Dibromo-2-fluorobenzene

Catalog	Name
EAA04359	1,3-Diethoxy-2-propanol
FD159469	3,3-Diethoxy-1,2-propanediol
AQ NN 0098-01	2,2-diethoxy-1,3-dimethylbenzimidazole
LEA95254-01	1- (3-Chloropropoxy) -2-fluorobenzene
sc-222957	1,3-Dichloro-2-fluorobenzene
sc-332115	1- (2-aminopropoxy) -3-fluorobenzene
KDA26257	1- (2-bromoethoxy) -3-fluorobenzene
FB81127	1- (3-Bromopropyl) -2-Fluorobenzene
sc-297333	1- (3-Bromopropoxy) -2-fluorobenzene
1435-54-7-01	1,3-Dibromo-2-fluorobenzene