5-Fluoro-2,4-dihydroxybenzaldehyde

CAT: 0127-PC1001895-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1001895-01Size:50 mg

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CAS Number

1251950-91-0

MDL Number

MFCD24687054

Purity

97%

Smiles

O=CC1=CC(F)=C(O)C=C1O

Chemical Information

5-Fluoro-2,4-dihydroxybenzaldehyde

CAS Number	1251950-91-0
PubChem CID	88962071
IUPAC Name	5-fluoro-2,4-dihydroxybenzaldehyde
Molecular Formula	C7H5FO3
Molecular Weight	156.11
XLogP	1.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1=C(C(=CC(=C1F)O)O)C=O

InChI

InChI=1S/C7H5FO3/c8-5-1-4(3-9)6(10)2-7(5)11/h1-3,10-11H

InChIKey

YZJUKXLHKFKYPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1251950-91-0

CID: 88962071

Formula: C7H5FO3

MW: 156.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.11
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	156.02227218
Monoisotopic Mass	156.02227218
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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
PC111214-01	2-Fluoro-4,5-dihydroxybenzaldehyde
PC102439-01	3-Fluoro-4,5-dihydroxybenzaldehyde
PC49474	5-Fluoro-2,3-dihydroxybenzaldehyde
PC1004820-01	2-Fluoro-3,4-dihydroxybenzaldehyde
OR93932-01	4-Bromo-2,5-dihydroxybenzaldehyde
OR91499-01	5-Bromo-2,4-dihydroxybenzaldehyde
OR81181-01	5-Ethyl-2,4-dihydroxybenzaldehyde
OR79508-01	5-Chloro-2,4-dihydroxybenzaldehyde
OR1032400	2-Bromo-4,5-dihydroxybenzaldehyde
BUP20005	2,5-Dihydroxybenzaldehyde

Catalog	Name
BAC95091-01	5-Fluoro-2,4-dihydroxybenzaldehyde
GIC82161-01	4-bromo-2,5-dihydroxybenzaldehyde
MBS6109392-01	2,5-Dihydroxybenzaldehyde
FD22100-01	2,4-Dihydroxybenzaldehyde
JH916886	6-Fluoro-2,3-dihydroxybenzaldehyde