4-Fluoro-ß-hydroxybenzenepropanenitrile

CAT: 0127-PC111818-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC111818-01Size:100 mg

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CAS Number

136568-65-5

Purity

98%

Smiles

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

Chemical Information

3-(4-Fluorophenyl)-3-hydroxypropanenitrile

CAS Number	136568-65-5
PubChem CID	15063214
IUPAC Name	3-(4-fluorophenyl)-3-hydroxypropanenitrile
Molecular Formula	C9H8FNO
Molecular Weight	165.16
XLogP	0.9
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	178

SMILES

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

InChI

InChI=1S/C9H8FNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4,9,12H,5H2

InChIKey

KOQYEWYUZCTROP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 136568-65-5

CID: 15063214

Formula: C9H8FNO

MW: 165.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.16
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.058992041
Monoisotopic Mass	165.058992041
Topological Polar Surface Area	44 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1036346-01	4-Bromo-ß-hydroxybenzenepropanenitrile
OR1035562-01	3-Chloro-ß-hydroxybenzenepropanenitrile
PC408434-01	4-Fluoro-4'-hydroxybiphenyl
PC3817FM-01	4-Fluoro-4'-methoxybenzophenone
PC2507-01	4-Fluoro-4'-hydroxybenzophenone
PC1001938-01	4-Fluoro-4'-methylbenzophenone
PC0639-01	4-Fluoro-4'-nitrochalcone
PC3938E	4-Fluoro-4'-nitrobenzophenone
PC53486-01	4-Fluoro-4'-methylbenzhydrol
PC0718	4-Fluoro-4'-methylchalcone

Catalog	Name
sc-290313A	4-Fluoro-4'-methylchalcone
sc-214237	4-Fluoro-4'-formylbiphenyl
sc-357749A	4-Fluoro-4'-nitrochalcone
sc-323141	4-Fluoro-4'-methoxybenzhydrol
sc-232708	4-Fluoro-4'-hydroxybenzophenone
F03630-01	4-Fluoro-4'-Nitrobenzophenone
277912-01	4'-Fluoro-4-methoxychalcone
sc-485579	4-Fluoro-4'-hydroxybiphenyl
FF38966-01	4-Fluoro-4'-methoxybenzophenone
sc-323142	4-Fluoro-4'-methylbenzhydrol