2’-Bromo-5’-fluoro-4’-nitroacetophenone

CAT: 0127-PC501896Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC501896Size:1 Each

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CAS Number

1807088-38-5

MDL Number

MFCD28739795

Purity

=95%

Smiles

CC(=O)c1cc(F)c(cc1Br)[N+](=O)[O-]

Chemical Information

2'-Bromo-5'-fluoro-4'-nitroacetophenone

CAS Number	1807088-38-5
PubChem CID	122237244
IUPAC Name	1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
Molecular Formula	C8H5BrFNO3
Molecular Weight	262.03
XLogP	2.2
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	255

SMILES

CC(=O)C1=CC(=C(C=C1Br)[N+](=O)[O-])F

InChI

InChI=1S/C8H5BrFNO3/c1-4(12)5-2-7(10)8(11(13)14)3-6(5)9/h2-3H,1H3

InChIKey

RHDVLWGBZMDXIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1807088-38-5

CID: 122237244

Formula: C8H5BrFNO3

MW: 262.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.03
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	260.94368
Monoisotopic Mass	260.94368
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	255
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
PC501577	4'-Bromo-5'-fluoro-2'-nitroacetophenone
OR400555-01	5’-Bromo-2’-nitroacetophenone
OR400597-01	4’-Bromo-2’-nitroacetophenone
OR72110-01	4’-Bromo-2’-chloro-5’-nitroacetophenone
PC32093-01	2'-Fluoro-5'-nitroacetophenone
PC57820-01	2’-Fluoro-4’-methoxy-5’-nitroacetophenone
PC99244-01	4'-Fluoro-2'-nitroacetophenone
PC1436-01	2, '4'-Dichloro-5'-fluoro-3'-nitroacetophenone
PC502391	3’-Fluoro-4’-methoxy-5’-nitroacetophenone
PC501417	3'-Fluoro-5'-nitroacetophenone

Catalog	Name
421156-01	2'-Fluoro-5'-nitroacetophenone
415970-01	2-Bromo-4'-nitroacetophenone
B22920-01	2-Bromo-4'-nitroacetophenone 97%
162943	Bromo-2’-nitroacetophenone
433965-01	4'-Fluoro-3'-nitroacetophenone
sc-233114	4'-Fluoro-3'-nitroacetophenone
sc-323485A	5-Fluoro-2-methoxy-3-nitroacetophenone
sc-233485	5'-Fluoro-2'-hydroxy-3'-nitroacetophenone
433904-01	4'-Bromo-3'-nitroacetophenone
266242-01	4-Bromo-3-nitroacetophenone