2-Nitro-9H-Fluoren-9-One

CAT: 0127-OR1029146-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029146-01Size:100 mg

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CAS Number

3096-52-4

Synonyms

2-nitrofluoren-9-one

Purity

98%

Smiles

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Chemical Information

2-Nitro-9-fluorenone

RN given refers to cpd with nitro moiety in position 2

CAS Number	3096-52-4
PubChem CID	18356
IUPAC Name	2-nitrofluoren-9-one
Molecular Formula	C13H7NO3
Molecular Weight	225.20
XLogP	3.5
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	349

SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H7NO3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H

InChIKey

AJEAHBZZHSLIQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3096-52-4

CID: 18356

Formula: C13H7NO3

MW: 225.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.20
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	225.042593085
Monoisotopic Mass	225.042593085
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	349
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
TRC-M321793-100MG	2-Methyl-9H-fluoren-9-one
3096-46-6	2-IODO-9H-FLUOREN-9-ONE
416245-01	2-Bromo-9H-fluoren-9-one
sc-262971	9H-Fluoren-9-one oxime
sc-343122	2-nitro-9H-xanthen-9-one
TRC-F424170-500MG	[(9H-Fluoren-9-ylmethoxycarbonylamino)]-(2-nitro-phenyl)-acetic Acid
TRC-D477793-500MG	2,6-Dimethyl-9H-fluoren-9-one
274423-01	2,7-Dibromo-9H-fluoren-9-one
BAA98600-01	4-Hydroxy-9H-fluoren-9-one
LBA80463	1-Bromo-9H-fluoren-9-one