4-Cyano-3,5-difluorophenol

CAT: 0926-FC50762-01Size: 0.025 kgDry Ice: NoHazardous: No

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CAT#:0926-FC50762-01Size:0.025 kg

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CAS Number

123843-57-2

Synonyms

2,6-Difluoro-4-hydroxybenzonitrile

MDL Number

MFCD03094499

Smiles

C1=C (C=C (C (=C1F) C#N) F) O

Molecular Formula

C7H3F2NO

Molecular Weight

155.1 g/mol

Controlled

Chemical Information

2,6-Difluoro-4-hydroxybenzonitrile

CAS Number	123843-57-2
PubChem CID	2778774
IUPAC Name	2,6-difluoro-4-hydroxybenzonitrile
Molecular Formula	C7H3F2NO
Molecular Weight	155.10
XLogP	1.5
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	176

SMILES

C1=C(C=C(C(=C1F)C#N)F)O

InChI

InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H

InChIKey

KEIYYIGMDPTAPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123843-57-2

CID: 2778774

Formula: C7H3F2NO

MW: 155.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.10
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	155.01827004
Monoisotopic Mass	155.01827004
Topological Polar Surface Area	44 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176
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
BFB44047-01	4- (2-Aminoethyl) -3,5-difluorophenol
FC85938-01	(4-Cyano-3,5-difluorophenyl) boronic acid
FPA42348	5-Bromo-2,4-difluorophenol
FC78452	2-Chloro-4,5-Difluorophenol
IWC35767-01	3-Bromo-2,5-difluorophenol
PCC40639	4-Amino-2,5-difluorophenol hydrochloride
FC78450	3-Chloro-2,4-difluorophenol
LAC63463-01	4-Chloro-2,3-difluorophenol
QDA92401-01	4-Cyano-3,5-dimethylbenzoic acid
CHC08420-01	4-Cyano-3,5-difluorobenzoic acid