3-fluoro-2-hydroxy-5-methylbenzaldehyde

CAT: 0127-PC1010144-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1010144-01Size:250 mg

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CAS Number

1283717-52-1

MDL Number

MFCD16658265

Purity

97%

Smiles

C1c (cc (c (c1F) O) C=O) C

Chemical Information

3-Fluoro-2-hydroxy-5-methylbenzaldehyde

CAS Number	1283717-52-1
PubChem CID	57699564
IUPAC Name	3-fluoro-2-hydroxy-5-methylbenzaldehyde
Molecular Formula	C8H7FO2
Molecular Weight	154.14
XLogP	2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

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

InChI

InChI=1S/C8H7FO2/c1-5-2-6(4-10)8(11)7(9)3-5/h2-4,11H,1H3

InChIKey

KCXJQPWEZOQDQG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1283717-52-1

CID: 57699564

Formula: C8H7FO2

MW: 154.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	154.14
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	154.04300762
Monoisotopic Mass	154.04300762
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
PC1012684-01	2-Fluoro-3-hydroxy-5-methylbenzaldehyde
PC1658-01	5-Fluoro-2-hydroxy-3-methylbenzaldehyde
PC1024216-01	2-Fluoro-5-hydroxy-3-methylbenzaldehyde
PC1009593-01	5-Fluoro-4-hydroxy-2-methylbenzaldehyde
PC1008816-01	2-Fluoro-4-hydroxy-5-methylbenzaldehyde
PC1021616-01	4-Fluoro-2-hydroxy-5-methylbenzaldehyde
PC1013605-01	2-Fluoro-4-hydroxy-3-methylbenzaldehyde
PC1023474-01	3-Fluoro-2-hydroxy-4-methylbenzaldehyde
PC1008908	6-Fluoro-2-hydroxy-3-methylbenzaldehyde
PC102903-01	2-Fluoro-3-hydroxy-6-methylbenzaldehyde

Catalog	Name
YJB01147-01	3-Fluoro-2-hydroxy-6-methylbenzaldehyde
sc-266658	3-Fluoro-5-methylbenzaldehyde
FF64024	5-Fluoro-2-methylbenzaldehyde
sc-213809	2-Fluoro-5-methylbenzaldehyde
FH05730-01	2-Hydroxy-5-methylbenzaldehyde
sc-482213	5-Hydroxy-2-methylbenzaldehyde
HAC66503	3-bromo-2-fluoro-5-methylbenzaldehyde
abx185951-01	5-Bromo-2-Fluoro-3-Methylbenzaldehyde
PDA93853-01	3-Chloro-2-hydroxy-5-methylbenzaldehyde
269493-01	5-Chloro-2-hydroxy-3-methylbenzaldehyde