3-Fluorobenzyl bromide

CAT: 0926-FF38630-01Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FF38630-01Size:1 Kg

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CAS Number

456-41-7

MDL Number

MFCD00000340

Smiles

C1=CC (=CC (=C1) F) CBr

Controlled

Chemical Information

3-Fluorobenzyl bromide

CAS Number	456-41-7
PubChem CID	68007
IUPAC Name	1-(bromomethyl)-3-fluorobenzene
Molecular Formula	C7H6BrF
Molecular Weight	189.02
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C1=CC(=CC(=C1)F)CBr

InChI

InChI=1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2

InChIKey

SCBZBMXPJYMXRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 456-41-7

CID: 68007

Formula: C7H6BrF

MW: 189.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.02
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.96369
Monoisotopic Mass	187.96369
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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
LKB61532-01	3-Bromo-6-chloro-2-fluorobenzyl bromide
FB12153-01	5-Bromo-2-fluorobenzyl bromide
FC36769-01	4-Cyano-2-fluorobenzyl bromide
FB68070-01	2-Bromo-4-fluorobenzyl bromide
FF96949-01	3-Fluorobenzyl isocyanate
YHA87971-01	4- (3-Fluorobenzyl) morpholine
FF79075-01	2- (3-Fluorobenzyl) piperidine
FF37385-01	1- (3-Fluorobenzyl) piperazine
FI63904-01	3-Iodobenzyl bromide
RAA79904	3-Nitrophenethyl bromide

Catalog	Name
TRC-F588605-25G	3-Fluorobenzyl Bromide
231909-01	3-fluorobenzyl bromide 99+%
PC3695-01	4-Fluorobenzyl bromide
sc-230339	2-Fluorobenzyl bromide
269325-01	4-Cyano-3-fluorobenzyl bromide
269126-01	3-Chloro-5-fluorobenzyl bromide
267664-01	2-Chloro-3-fluorobenzyl bromide
264154-01	4-Bromo-3-fluorobenzyl bromide
MBS6119102-01	3-Chloro-2-fluorobenzyl Bromide
PC0079-01	3-Chloro-4-fluorobenzyl bromide