5'-Bromo-2'-fluoroacetophenone

CAT: 0127-PC400732-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-PC400732-01Size:5 g

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CAS Number

198477-89-3

Synonyms

1- (5-Bromo-2-fluorophenyl) ethan-1-one

MDL Number

MFCD11226880

Purity

=95%

Smiles

CC(=O)c1cc(Br)ccc1F

Chemical Information

1-(5-Bromo-2-fluorophenyl)ethanone

CAS Number	198477-89-3
PubChem CID	22607476
IUPAC Name	1-(5-bromo-2-fluorophenyl)ethanone
Molecular Formula	C8H6BrFO
Molecular Weight	217.03
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

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

InChI

InChI=1S/C8H6BrFO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3

InChIKey

XNRQIHIOKXQSPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 198477-89-3

CID: 22607476

Formula: C8H6BrFO

MW: 217.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.03
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	215.95861
Monoisotopic Mass	215.95861
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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
PC32800-01	2'-Bromo-5'-fluoroacetophenone
PC501607-01	3’-Bromo-5’-fluoroacetophenone
PC905600-01	5’-Bromo-4’-chloro-2’-fluoroacetophenone
PC57502-01	2'-Bromo-4'-chloro-5'-fluoroacetophenone
PC50315-01	2'-Bromo-5'-chloro-4'-fluoroacetophenone
PC37883-01	5'-Bromo-3'-chloro-2'-fluoroacetophenone
PC500405-01	4'-Bromo-5'-chloro-2'-fluoroacetophenone
PC57837	5'-Bromo-2'-chloro-4'-fluoroacetophenone
PC500633-01	2'-Bromo-3'-fluoroacetophenone
PC1396B-01	2'-Bromo-4'-fluoroacetophenone