3-Amino-2-fluorophenol

CAT: 0127-PC102259-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC102259-01Size:100 mg

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CAS Number

1186326-66-8

MDL Number

MFCD16999409

Purity

97%

Smiles

OC1=CC=CC(N)=C1F

Chemical Information

3-Amino-2-fluorophenol

CAS Number	1186326-66-8
PubChem CID	19896037
IUPAC Name	3-amino-2-fluorophenol
Molecular Formula	C6H6FNO
Molecular Weight	127.12
XLogP	1
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

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

InChI

InChI=1S/C6H6FNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2

InChIKey

XOHHXAVXXARHDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1186326-66-8

CID: 19896037

Formula: C6H6FNO

MW: 127.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.12
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	127.043341977
Monoisotopic Mass	127.043341977
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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
A609780	3-Amino-2-fluorophenol
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