2-Fluorodopamine

CAT: 0926-FF77123-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FF77123-02Size:25 mg

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CAS Number

404-84-2

Smiles

C1=CC (=C (C=C1CCN) F) O

Molecular Formula

C8H10FNO

Molecular Weight

155.17 g/mol

Controlled

Yes

Chemical Information

4-(2-Aminoethyl)-2-fluorophenol

RN given refers to parent cpd

CAS Number	404-84-2
PubChem CID	193292
IUPAC Name	4-(2-aminoethyl)-2-fluorophenol
Molecular Formula	C8H10FNO
Molecular Weight	155.17
XLogP	-0.5
Topological Polar Surface Area	46.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

C1=CC(=C(C=C1CCN)F)O

InChI

InChI=1S/C8H10FNO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2

InChIKey

MBQWGRWJFUWYAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 404-84-2

CID: 193292

Formula: C8H10FNO

MW: 155.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.17
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	155.074642105
Monoisotopic Mass	155.074642105
Topological Polar Surface Area	46.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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

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