2,4,7-Trinitro-9-Fluorenone

CAT: 1596-AR-F10364-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10364-02Size:25 Units

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CAS Number

129-79-3

Molecular Formula

C13H5N3O7

Molecular Weight

315.20

API Name

Fluorenone

Chemical Information

2,4,7-Trinitrofluoren-9-one

2,4,7-trinitrofluoren-9-one appears as pale yellow needles (from acetic acid or benzene) or yellow powder. (NTP, 1992)

CAS Number	129-79-3
PubChem CID	8521
IUPAC Name	2,4,7-trinitrofluoren-9-one
Molecular Formula	C13H5N3O7
Molecular Weight	315.19
XLogP	2.4
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	563

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H

InChIKey

VHQGURIJMFPBKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 129-79-3

CID: 8521

Formula: C13H5N3O7

MW: 315.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.19
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	315.01274951
Monoisotopic Mass	315.01274951
Topological Polar Surface Area	155 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	563
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
AR-F01722-01	2-Fluoro-9-fluorenone-9-13C
AR-P31233-01	2,4,6-Trinitro-L-Phenylalanine
AR-A01547-01	2,4,6-Trinitro-L-Phenylalanine
AR-M02477-01	2,4,7,9-Tetraazadecanediimidamide,3,8-diimino-4,7-dimethyl
AR-B01328-01	1,2,3,4,7,8,9-Heptachlorodibenzofuran
AR-F09469-01	2',4',7'-Triiodofluorescein
AR-P02769-01	(4S,9S) -4,9-diisobutyl-1,6-diazecane-2,7-dione
AR-B01326-01	1,2,3,7,8,9-Hexachlorodibenzofuran
AR-P30901-01	3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecanoic Acid
AR-P30908-01	4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic Acid

Catalog	Name
sc-231228	2,7-Dichloro-9-fluorenone
FD70414-01	2,7-Dihydroxy-9-fluorenone
420980-01	2,7-Dibromo-9-fluorenone
sc-225804	2,7-Dinitro-9-fluorenone
T29535-01	2,4,7-Trinitro-9-fluorenylidene malononitrile
sc-335599	2,7-Dibromo-4-carboxyl-9-fluorenone
sc-275512	2,7-Dimethyl-9-fluorenone-4-carboxylic acid
sc-338032	Methyl-2,7-dibromo-9-fluorenone-4-carboxylate
sc-284861	9-Fluorenone-2,7-dicarboxylic acid
1803-25-4-01	2,4-Dichloro-9-Fluorenone