C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)F
CAS: 7304-32-7
Nombre: 2-fluoro-5-nitrobenzoic acid
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)F

Molecular Processing

Molecular formula
C7H4FNO4
Molecular weight
185.11
Exact mass
185.0124
XLogP
1.43
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.01

Supplementary Information

InChIKey: ICXSHFWYCHJILC-UHFFFAOYSA-N
Sinónimos
2-Fluoro-5-nitrobenzoic acid7304-32-7DTXSID90299880RefChem:261003DTXCID00251015627-772-7InChI=1/C7H4FNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,112-Fluoro-5-nitrobenzoicacid2-fluoro-5-nitro-benzoic acidMFCD00134238NSC 133450;Benzoic acid, 2-fluoro-5-nitro-NSC133450SCHEMBL1951452-Fluoro-5-nitro benzoic acidSCHEMBL1654660BBL011905SBB028509STK8026012-Fluoro-5-nitrobenzoic acid, 98%AKOS003620481AC-3983CS-W007433FF23410NSC 133450NSC-133450AS-14478SY016914DB-025342F0391
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