Structure

2-Nitrofluorene

CAS
607-57-8
Catalog Number
ACM607578
Category
Other Products
Molecular Weight
211.22g/mol
Molecular Formula
C13H9NO2

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Specification

Description
2-nitrofluorene is a cream-colored solid. (NTP, 1992)
IUPAC Name
2-nitro-9H-fluorene
Canonical SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChI Key
XFOHWECQTFIEIX-UHFFFAOYSA-N
Melting Point
316 °F (NTP, 1992);157.0 °C;158 °C
Solubility
less than 1 mg/mL at 70° F (NTP, 1992);1.02e-06 M;INSOL IN WATER;SOL IN ACETONE, BENZENE;Water solubility of 1.73 mg/l at 25 °C (est)
Color/Form
NEEDLES
Complexity
286
Covalently-Bonded Unit Count
1
Decomposition
When heated to decomp it emits fumes of /nitrogen oxides/.
EC Number
210-138-5
Exact Mass
211.063329g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
16
LogP
3.37 (LogP);log Kow= 3.97 (est)
Monoisotopic Mass
211.063329g/mol
NSC Number
5182
Rotatable Bond Count
0
UNII
191LL4U4GZ
XLogP3
3.7
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