Name: Name:2-fluoro-1-(4-nitrophenyl)ethan-1-one
Brand: Angene
SKU: AG01EK0E
Rating: 90 (10 reviews)

2-fluoro-1-(4-nitrophenyl)ethan-1-one

CAS No.:

350-39-0

Catalog Number:

AG01EK0E

Molecular Formula:

C8H6FNO3

Molecular Weight:

183.1365

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Product Description

Catalog Number:

AG01EK0E

Chemical Name:

2-fluoro-1-(4-nitrophenyl)ethan-1-one

CAS Number:

350-39-0

Molecular Formula:

C8H6FNO3

Molecular Weight:

183.1365

MDL Number:

MFCD31617222

IUPAC Name:

2-fluoro-1-(4-nitrophenyl)ethanone

InChI:

InChI=1S/C8H6FNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

InChI Key:

KXIIJBOUUGTPQD-UHFFFAOYSA-N

SMILES:

FCC(=O)c1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.138g/mol

Monoisotopic Mass:

183.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Theoretical and experimental investigation on the rotational isomerism in alpha-fluoroacetophenones.	The journal of physical chemistry. A 20090326