3-Fluorobenzal bromide

CAT: 0127-PC3442Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC3442Size:1 Each

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CAS Number

455-34-5

MDL Number

MFCD00010354

Purity

97%

Smiles

Fc1cccc(c1)C(Br)Br

Chemical Information

3-Fluorobenzal Bromide

CAS Number	455-34-5
PubChem CID	136299
IUPAC Name	1-(dibromomethyl)-3-fluorobenzene
Molecular Formula	C7H5Br2F
Molecular Weight	267.92
XLogP	3.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	106

SMILES

C1=CC(=CC(=C1)F)C(Br)Br

InChI

InChI=1S/C7H5Br2F/c8-7(9)5-2-1-3-6(10)4-5/h1-4,7H

InChIKey

ZIAHZFPHXNQNQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 455-34-5

CID: 136299

Formula: C7H5Br2F

MW: 267.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.92
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	267.87215
Monoisotopic Mass	265.87420
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106
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
PC3471-01	2-Fluorobenzal bromide
PC3444B	3-Fluorobenzal chloride
PC3694-01	3-Fluorobenzyl bromide
PC53503-01	2-Bromo-3-fluorobenzal fluoride
PC7142-01	3-Bromo-5-fluorobenzal chloride
PC3444A	2-Fluorobenzal chloride
PC5721-01	4-Bromo-3-fluorobenzyl bromide
PC0079-01	3-Chloro-4-fluorobenzyl bromide
PC6878-01	2-Bromo-3-fluorobenzyl bromide
PC51313-01	4- (Difluoromethoxy) -3-fluorobenzyl bromide