2,5-Dinitrofluorene

CAT: 0926-FD67513-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FD67513-02Size:5 g

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CAS Number

15110-74-4

MDL Number

MFCD00019041

Smiles

C1C2=C (C3=C1C=C (C=C3) [N+] (=O) [O-]) C (=CC=C2) [N+] (=O) [O-]

Molecular Formula

C13H8N2O4

Molecular Weight

256.21 g/mol

Controlled

Chemical Information

2,5-Dinitro-9H-fluorene

2,5-dinitro-9h-fluorene is a light brown solid. (NTP, 1992)

CAS Number	15110-74-4
PubChem CID	27047
IUPAC Name	2,5-dinitro-9H-fluorene
Molecular Formula	C13H8N2O4
Molecular Weight	256.21
XLogP	3.2
Topological Polar Surface Area	91.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	19
Formal Charge	0
Complexity	389

SMILES

C1C2=C(C3=C1C=C(C=C3)[N+](=O)[O-])C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2

InChIKey

XHAHNUAISBGLEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15110-74-4

CID: 27047

Formula: C13H8N2O4

MW: 256.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.21
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	256.04840674
Monoisotopic Mass	256.04840674
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	389
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

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