9H-Fluorene, 3-nitro- 5397-37-5

Details:

【Name】
9H-Fluorene, 3-nitro-
【Iupac name】
3-nitro-9H-fluorene
【CAS Registry number】
5397-37-5
【Synonyms】
Fluorene,3-nitro- (6CI,8CI)
3-Nitrofluorene
NSC 3016
【Molecular Formula】
C13H9 N O2 (Products with the same molecular formula)
【Molecular Weight】
211.23
【Inchi】
InChI=1/C13H9NO2/c15-14(16)11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2
【InChIKey】
CKAGNBSBBQJLCI-UHFFFAOYSA-N
【Canonical SMILES】
C1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31
【MOL File】
5397-37-5.mol
Chemical and Physical Properties
【Density】
1.318g/cm3
【Boiling Point】
382.4°Cat760mmHg
【Refractive Index】
1.677
【Flash Point】
190.6°C
【Computed Properties】
Molecular Weight:211.21606 [g/mol]
Molecular Formula:C13H9NO2
XLogP3:3.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:211.063329
MonoIsotopic Mass:211.063329
Topological Polar Surface Area:45.8
Heavy Atom Count:16
Formal Charge:0
Complexity:286
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
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1
Safety and Handling
【Safety Statements 】
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
【Safety】
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
【Specification】
3-Nitro-9H-fluorene ,its CAS NO. is 5397-37-5, the synonyms are 3-05-00-01949 (Beilstein Handbook Reference) ; 3-Nitrofluorene ; BRN 2213592 ; CCRIS 8628 ; NSC 3016 ; 9H-Fluorene, 3-nitro- (9CI) ; Fluorene, 3-nitro- .