4-Fluorobenzylamine Hydrobromide

CAT: 0127-PC1008659-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1008659-01Size:1 g

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CAS Number

2270172-94-4

Synonyms

4-Fluorobenzylammonium Bromide

Purity

>98.0%

Smiles

C1=CC (=CC=C1CN) F.Br

Chemical Information

4-Fluorobenzylamine Hydrobromide

CAS Number	2270172-94-4
PubChem CID	154728294
IUPAC Name	(4-fluorophenyl)methanamine;hydrobromide
Molecular Formula	C7H9BrFN
Molecular Weight	206.06
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	77

SMILES

C1=CC(=CC=C1CN)F.Br

InChI

InChI=1S/C7H8FN.BrH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H

InChIKey

PHIMWJYSMVBDPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2270172-94-4

CID: 154728294

Formula: C7H9BrFN

MW: 206.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.06
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	204.99024
Monoisotopic Mass	204.99024
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	77
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	2
Compound Is Canonicalized	Yes

Catalog	Name
PC3690-01	4-Fluorobenzylamine
PC302779-01	4-Chloro-2-fluorobenzylamine
PC302780-01	4-Chloro-3-fluorobenzylamine
PC908738-01	N-Ethyl-4-fluorobenzylamine
PC9062-01	4-Bromo-2-fluorobenzylamine
PC1864F-01	3-Chloro-4-fluorobenzylamine
PC1864B-01	2-Chloro-4-fluorobenzylamine
PC1864FD-01	4-Chloro-2-fluorobenzylamine hydrochloride
PC302011-01	2,4-Dichloro-5-fluorobenzylamine
PC6293	Alpha, N-Dimethyl-4-fluorobenzylamine

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