C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O
CAS: 114776-15-7
Name: 2-chloro-4-fluoro-5-nitrobenzoic acid
SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O

Molecular Processing

Molecular formula
C7H3ClFNO4
Molecular weight
219.55
Exact mass
218.9735
XLogP
2.09
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.02

Supplementary Information

InChIKey: SYZKAFCPWNFONG-UHFFFAOYSA-N
Synonyme
2-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-7DTXSID10428413RefChem:258749DTXCID40379247630-233-9Benzoic acid, 2-chloro-4-fluoro-5-nitro-2-chloro-4-fluoro-5-nitro-benzoic AcidMFCD041157152-Chloro-4-fluoro-5-nitrobenzoicacidSCHEMBL1014802SYZKAFCPWNFONG-UHFFFAOYSA-NCS-D1754SBB095828AKOS009486809AB20456AC-24327AS-16038SY022696DB-006050C2446EN300-84119Benzoic acid, 2-?chloro-?4-?fluoro-?5-?nitro-F065833Z424800636
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