3-Fluorophenol

CAT: 0926-FF15570-03Size: 0.5 KgDry Ice: NoHazardous: No

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CAT#:0926-FF15570-03Size:0.5 Kg

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CAS Number

372-20-3

MDL Number

MFCD00002254

Smiles

C1=CC (=CC (=C1) F) O

Molecular Formula

C6H5FO

Molecular Weight

112.1 g/mol

Controlled

Chemical Information

3-Fluorophenol

structure in first source

CAS Number	372-20-3
PubChem CID	9743
IUPAC Name	3-fluorophenol
Molecular Formula	C6H5FO
Molecular Weight	112.10
XLogP	1.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C1=CC(=CC(=C1)F)O

InChI

InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChIKey

SJTBRFHBXDZMPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 372-20-3

CID: 9743

Formula: C6H5FO

MW: 112.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.10
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	112.032442941
Monoisotopic Mass	112.032442941
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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
LAC44159-01	3- (Difluoromethoxy) -5-fluorophenol
FC34759-01	3-Chloro-4-fluorophenol
FB32639-01	3-Bromo-4-fluorophenol
FA42957-01	3-Amino-4-fluorophenol
LXB32666-01	3-Amino-2-fluorophenol
QRD42125	3-Cyclopropyl-2-fluorophenol
LHD97949-01	3- (Aminomethyl) -5-fluorophenol hydrochloride
TVB57175-01	3- (Aminomethyl) -2-fluorophenol hydrobromide
FA80204-01	3- (2-Aminoethyl) -2-fluorophenol
FA80137-01	3- (2-Aminoethyl) -4-Fluorophenol

Catalog	Name
425787-01	3-Fluorophenol
424955-01	3-Chloro-4-fluorophenol
425056-01	3-Chloro-5-fluorophenol
424172-01	3-Bromo-2-fluorophenol
269186-01	4-Cyano-3-fluorophenol
RG-A261626-01	2- (Bromomethoxy) -3-Fluorophenol
MBS6043217-01	4-Amino-3-fluorophenol
sc-231528	3-Bromo-5-fluorophenol
PC1025609-01	3-ethoxy-5-fluorophenol
PC1009635-01	3- (Dimethylamino) -5-fluorophenol