3-Fluoro-2-hydroxy-4-methoxybenzaldehyde

CAT: 0127-PC1001753-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001753-01Size:100 mg

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CAS Number

1427397-19-0

Purity

98%

Smiles

COC1=CC=C(C=O)C(O)=C1F

Chemical Information

3-Fluoro-2-hydroxy-4-methoxybenzaldehyde

CAS Number	1427397-19-0
PubChem CID	84731861
IUPAC Name	3-fluoro-2-hydroxy-4-methoxybenzaldehyde
Molecular Formula	C8H7FO3
Molecular Weight	170.14
XLogP	1.5
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	162

SMILES

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

InChI

InChI=1S/C8H7FO3/c1-12-6-3-2-5(4-10)8(11)7(6)9/h2-4,11H,1H3

InChIKey

YVIHBKCATSECDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1427397-19-0

CID: 84731861

Formula: C8H7FO3

MW: 170.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.14
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.03792224
Monoisotopic Mass	170.03792224
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	12
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
PC1021961	2-Fluoro-4-hydroxy-3-methoxybenzaldehyde
PC1021960	2-Fluoro-3-hydroxy-4-methoxybenzaldehyde
PC0941	3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
PC1023659-01	2-Fluoro-6-hydroxy-4-methoxybenzaldehyde
PC1011099-01	3-Fluoro-2-hydroxy-5-methoxybenzaldehyde
PC1025337-01	2-Fluoro-3-hydroxy-5-methoxybenzaldehyde
PC48484	5-Fluoro-2-hydroxy-3-methoxybenzaldehyde
PC1012597	3-fluoro-2-hydroxy-6-methoxybenzaldehyde
PC1021954	2-Fluoro-6-hydroxy-3-methoxybenzaldehyde
OR28774-01	3-Hydroxy-4-methoxybenzaldehyde

Catalog	Name
CHC39719-01	3-Fluoro-2-hydroxy-4-methoxybenzaldehyde
425630-01	3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
LCC27124-01	5-Fluoro-2-hydroxy-4-methoxybenzaldehyde
425644-01	3-Fluoro-4-methoxybenzaldehyde
277802-01	4-Fluoro-3-methoxybenzaldehyde
FF64021-01	2-Fluoro-4-methoxybenzaldehyde
sc-261921	4-Fluoro-2-methoxybenzaldehyde
TRC-H947825-500G	3-Hydroxy-4-methoxybenzaldehyde
T2A2524	2-Hydroxy-4-methoxybenzaldehyde
TRC-H946030-5G	4-Hydroxy-2-methoxybenzaldehyde