2-Bromobenzal fluoride

CAT: 0127-PC01660-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC01660-01Size:5 g

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CAS Number

845866-82-2

Synonyms

1-Bromo-2- (difluoromethyl) benzene, 2-Bromo-alpha, alpha-difluorotoluene

MDL Number

MFCD06657962

Purity

=95%

Smiles

FC(F)c1ccccc1Br

Chemical Information

1-Bromo-2-(difluoromethyl)benzene

CAS Number	845866-82-2
PubChem CID	2761181
IUPAC Name	1-bromo-2-(difluoromethyl)benzene
Molecular Formula	C7H5BrF2
Molecular Weight	207.01
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	106

SMILES

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

InChI

InChI=1S/C7H5BrF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H

InChIKey

RMYPQIOCZSWSDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 845866-82-2

CID: 2761181

Formula: C7H5BrF2

MW: 207.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.01
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	205.95427
Monoisotopic Mass	205.95427
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
PC50007-01	3-Bromobenzal fluoride
PC49528-01	4-Bromobenzal fluoride
PC56790-01	2-Bromobenzyl fluoride
PC56792-01	3-Bromobenzyl fluoride
PC56794-01	4-Bromobenzyl fluoride
PC1001349-01	4-Bromobenzoyl fluoride
PC4725-01	2-Chlorotetrafluoropropanoyl fluoride
PC56784-01	2-Nitrobenzyl fluoride
PC57055	2-Nitrobenzal fluoride
PC510011-01	2-Fluorobenzenesulfonyl Fluoride

Catalog	Name
419134-01	2-Pyridinesulfonyl Fluoride
AAA43398-01	2-Nitrobenzenesulphonyl fluoride
CCA20099	2-Fluorobenzenesulfonyl Fluoride
416299-01	2-Bromobenzenesulfonyl fluoride
AAA44647-01	2-Bromobenzyl fluoride
418544-01	2-Methanesulfonylbenzenesulfonyl fluoride
417166-01	2-Chloroethanesulfonyl fluoride
291439-01	2,2,2-Trifluoroacetyl fluoride
NCA80573-01	Propane-2-sulfonyl fluoride
JFC42915-01	(2-Chlorophenyl) methanesulfonyl fluoride