2,3-Dimethoxy-6-fluorobenzaldehyde

CAT: 0926-HTA62814-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-HTA62814-01Size:0.5 g

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CAS Number

457628-14-7

MDL Number

MFCD11110608

Smiles

COC1=C (C (=C (C=C1) F) C=O) OC

Molecular Formula

C9H9FO3

Molecular Weight

184.16 g/mol

Controlled

Chemical Information

6-Fluoro-2,3-dimethoxybenzaldehyde

CAS Number	457628-14-7
PubChem CID	10726148
IUPAC Name	6-fluoro-2,3-dimethoxybenzaldehyde
Molecular Formula	C9H9FO3
Molecular Weight	184.16
XLogP	1.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

COC1=C(C(=C(C=C1)F)C=O)OC

InChI

InChI=1S/C9H9FO3/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-5H,1-2H3

InChIKey

GDOQJEBNBOJBQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 457628-14-7

CID: 10726148

Formula: C9H9FO3

MW: 184.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.16
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	184.05357231
Monoisotopic Mass	184.05357231
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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
VDA39995	2,3-Dichloro-6-fluorobenzaldehyde
RLB42061	3,6-Dichloro-2-fluorobenzaldehyde
FC16013-01	2-Chloro-6-fluorobenzaldehyde
PUB80902	6-bromo-3-chloro-2-fluorobenzaldehyde
PUB80911	3-Bromo-2-chloro-6-fluorobenzaldehyde
WNC69961-01	2-Amino-6-chloro-3-fluorobenzaldehyde
EMB02203-01	2-Ethyl-6-fluorobenzaldehyde
FD70607-01	2,6-Dimethoxy-3-nitrobenzamide
FD66932-01	2,6-Dimethyl-4-fluorobenzaldehyde
FC69971-01	2-Chloro-6-fluorobenzaldehyde oxime

Catalog	Name
PC1021953	3,6-Dimethoxy-2-fluorobenzaldehyde
PC1010987	2,6-Dimethoxy-4-fluorobenzaldehyde
PC1021613	2,4-dimethoxy-3-fluorobenzaldehyde
PC8855	4,5-Dimethoxy-2-fluorobenzaldehyde
PC906876-01	2,6-Dichloro-3-fluorobenzaldehyde
sc-232151	3,6-Dibromo-2-fluorobenzaldehyde
PC51143-01	2,3-Dichoro-6-fluorobenzaldehyde
PC1018019-01	3,6-Diethoxy-2-fluorobenzaldehyde
sc-298570	2,3-Dichloro-6-fluorobenzaldehyde
PC302186-01	3,6-Dichloro-2-fluorobenzaldehyde