4-Fluoro-3-hydroxybenzonitrile

CAT: 0024-sc-261943ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-261943ASize:5 g

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CAS Number

186590-04-5

Chemical Information

4-Fluoro-3-hydroxybenzonitrile

CAS Number	186590-04-5
PubChem CID	20776981
IUPAC Name	4-fluoro-3-hydroxybenzonitrile
Molecular Formula	C7H4FNO
Molecular Weight	137.11
XLogP	1.4
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	162

SMILES

C1=CC(=C(C=C1C#N)O)F

InChI

InChI=1S/C7H4FNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H

InChIKey

LKTBMKIXEOGAGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186590-04-5

CID: 20776981

Formula: C7H4FNO

MW: 137.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	137.11
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	137.027691913
Monoisotopic Mass	137.027691913
Topological Polar Surface Area	44 Å²
Heavy Atom Count	10
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
sc-280366	3-Fluoro-4-hydroxybenzonitrile
sc-254239	2-Fluoro-4-hydroxybenzonitrile
sc-299049A	3-Fluoro-5-hydroxybenzonitrile
sc-298431	2-Fluoro-3-hydroxybenzonitrile
sc-298431A	2-Fluoro-3-hydroxybenzonitrile
sc-299049	3-Fluoro-5-hydroxybenzonitrile
sc-276219	3-ethoxy-4-hydroxybenzonitrile
sc-276140	3-Chloro-4-hydroxybenzonitrile
sc-231515	3-Bromo-4-hydroxybenzonitrile
sc-322699	3,4-Difluoro-2-hydroxybenzonitrile

Catalog	Name
425633-01	3-Fluoro-4-hydroxybenzonitrile
PC3631	4-Fluoro-3-hydroxybenzonitrile
417794-01	2-Fluoro-4-hydroxybenzonitrile
PC51150-01	4-Fluoro-2-hydroxybenzonitrile
PC1013966-01	3-Chloro-5-fluoro-4-hydroxybenzonitrile
PC49010-01	3-Bromo-4-fluoro-2-hydroxybenzonitrile
PC400007	4-Bromo-3-fluoro-2-hydroxybenzonitrile
PC1013189	2-Bromo-4-fluoro-3-hydroxybenzonitrile
PC1023380-01	3-bromo-5-fluoro-4-hydroxybenzonitrile
PC53413	3-Bromo-2-fluoro-4-hydroxybenzonitrile