Bromodifluoroacetyl fluoride

CAT: 0024-sc-263059Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-263059Size:5 g

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CAS Number

38126-07-7

Chemical Information

Bromo(difluoro)acetyl fluoride

CAS Number	38126-07-7
PubChem CID	2773284
IUPAC Name	2-bromo-2,2-difluoroacetyl fluoride
Molecular Formula	C2BrF3O
Molecular Weight	176.92
XLogP	1.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	90

SMILES

C(=O)(C(F)(F)Br)F

InChI

InChI=1S/C2BrF3O/c3-2(5,6)1(4)7

InChIKey

REOFZGQDJKOKFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38126-07-7

CID: 2773284

Formula: C2BrF3O

MW: 176.92

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.92
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	175.90846
Monoisotopic Mass	175.90846
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	90.9
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
sc-263057A	Bromodifluoroacetyl bromide
sc-263057	Bromodifluoroacetyl bromide
sc-263058	Bromodifluoroacetyl chloride
sc-224456	Zinc fluoride
sc-264386A	Tetradecyl fluoride
sc-264386	Tetradecyl fluoride
sc-253682B	Tetramethylammonium fluoride
sc-253682	Tetramethylammonium fluoride
sc-229408	Tetraethylammonium fluoride
sc-250257	Lithium fluoride

Catalog	Name
14433	Bromodifluoroacetyl Chloride extrapure, 97%
189835-01	Phenyl Methanesulphonyl Fluoride (PMSF) (α-Toluenesulphonyl Fluoride) Phenylmethylsulphonyl Fluoride)
Q-1395.0025	Phenylmethylsulfonyl fluoride
OL72060-01	Lactosyl fluoride
AAA37393-01	Chloromethanesulfonyl fluoride
AAA36843-01	Benzenesulfonyl fluoride
JBD31704-01	Cyclopropylidenemethanesulfonyl fluoride
HY-W019922-01	Magnesium fluoride
3120625	Ammonium fluoride
MBS3610043	Sodium fluoride