5-Fluoro-2-hydroxy-4-methoxybenzaldehyde

CAT: 0926-LCC27124-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LCC27124-01Size:50 mg

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CAS Number

1311271-24-5

MDL Number

MFCD23705545

Smiles

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

Molecular Formula

C8H7FO3

Molecular Weight

170.14 g/mol

Controlled

Chemical Information

5-Fluoro-2-hydroxy-4-methoxybenzaldehyde

CAS Number	1311271-24-5
PubChem CID	84048328
IUPAC Name	5-fluoro-2-hydroxy-4-methoxybenzaldehyde
Molecular Formula	C8H7FO3
Molecular Weight	170.14
XLogP	1.7
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)O)C=O)F

InChI

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

InChIKey

RTVJRZMNNIHDFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1311271-24-5

CID: 84048328

Formula: C8H7FO3

MW: 170.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.14
XLogP3	1.7
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
CHC39719-01	3-Fluoro-2-hydroxy-4-methoxybenzaldehyde
DNB42766-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
FB70785-01	2-Bromo-5-hydroxy-4-methoxybenzaldehyde
SLB82833-01	5-Chloro-4-hydroxy-2-methoxybenzaldehyde
FH04958-01	2-Hydroxy-5-methoxybenzaldehyde
FH24199-01	4-Hydroxy-2-methoxybenzaldehyde
FH11114-01	2-Hydroxy-4-methoxybenzaldehyde
WIA62280-01	5-Chloro-2-fluoro-4-methoxybenzaldehyde
BNB80189-01	5-Ethoxy-2-fluoro-4-methoxybenzaldehyde
YTA41748-01	5-Bromo-2-fluoro-4-methoxybenzaldehyde

Catalog	Name
425630-01	3-Fluoro-4-hydroxy-5-methoxybenzaldehyde
PC1011099-01	3-Fluoro-2-hydroxy-5-methoxybenzaldehyde
PC1025337-01	2-Fluoro-3-hydroxy-5-methoxybenzaldehyde
PC48484	5-Fluoro-2-hydroxy-3-methoxybenzaldehyde
PC1023659-01	2-Fluoro-6-hydroxy-4-methoxybenzaldehyde
PC1021961	2-Fluoro-4-hydroxy-3-methoxybenzaldehyde
PC1021960	2-Fluoro-3-hydroxy-4-methoxybenzaldehyde
PC1001753-01	3-Fluoro-2-hydroxy-4-methoxybenzaldehyde
HY-N9012-01	2-Hydroxy-5- (2-hydroxy-4-methoxybenzyl) -4-methoxybenzaldehyde
MBS5761368	2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde