C1=CC(=C(C=C1[N+](=O)[O-])Cl)F
CAS: 350-30-1
Name: 2-chloro-1-fluoro-4-nitrobenzene
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)F

Molecular Processing

Molecular formula
C6H3ClFNO2
Molecular weight
175.55
Exact mass
174.9836
XLogP
2.39
TPSA
43.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.06

Supplementary Information

InChIKey: DPHCXXYPSYMICK-UHFFFAOYSA-N
Synonyme
3-Chloro-4-fluoronitrobenzene350-30-12-Chloro-1-fluoro-4-nitrobenzeneDTXSID6049278EINECS 206-499-3NSC 163894BRN 1944997UNII-8H6U84X0758H6U84X075NSC-163894DTXCID5029134DPHCXXYPSYMICK-UHFFFAOYSA-4-05-00-00725 (Beilstein Handbook Reference)RefChem:86125206-499-3DPHCXXYPSYMICK-UHFFFAOYSA-NInChI=1/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3HBenzene, 2-chloro-1-fluoro-4-nitro-1-chloro-2-fluoro-5-nitrobenzeneMFCD000072062-Chloro-1-fluoro-4-nitro-benzene3-Chloro-4-fluoro-1-nitrobenzene4-fluoro-3-chloronitrobenzeneNSC1638943-chloro-4-fluronitrobenzeneSCHEMBL1693042-chloro-4-nitro-fluorobenzene2-fluoro-5-nitro-chlorobenzene3-chloro-4-fluoro nitrobenzene3-chloro-4-fluoro-nitrobenzene
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