2-Fluoro-4,5-dihydroxybenzaldehyde

CAT: 0127-PC111214-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC111214-01Size:100 mg

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CAS Number

71144-36-0

Purity

98%

Smiles

O=CC1=C(F)C=C(O)C(O)=C1

Chemical Information

2-Fluoro-4,5-dihydroxybenzaldehyde

CAS Number	71144-36-0
PubChem CID	593363
IUPAC Name	2-fluoro-4,5-dihydroxybenzaldehyde
Molecular Formula	C7H5FO3
Molecular Weight	156.11
XLogP	0.8
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(=C1O)O)F)C=O

InChI

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

InChIKey

FXDGVLXBUNQEQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71144-36-0

CID: 593363

Formula: C7H5FO3

MW: 156.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.11
XLogP3	0.8
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
PC1001895-01	5-Fluoro-2,4-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
TRC-D451005-1G	2,5-Dihydroxybenzaldehyde
FD22100-01	2,4-Dihydroxybenzaldehyde
JH916886	6-Fluoro-2,3-dihydroxybenzaldehyde