COC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
CAS: 6627-53-8
Nom: 4-chloro-2-methoxy-1-nitrobenzene
SMILES: COC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H6ClNO3
Molecular weight
187.58
Exact mass
187.0036
XLogP
2.26
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
0.143
Molar refractivity
44.66

Supplementary Information

InChIKey: ABEUJUYEUCCZQF-UHFFFAOYSA-N
Synonymes
5-Chloro-2-nitroanisole4-Chloro-2-methoxy-1-nitrobenzeneBenzene, 4-chloro-2-methoxy-1-nitro-SVY2LTV7GJNSC-60112DTXSID4064426ABEUJUYEUCCZQF-UHFFFAOYSA-2-METHOXY-4-CHLORONITROBENZENE1-CHLORO-3-METHOXY-4-NITROBENZENERefChem:102329DTXCID5044780229-594-1ABEUJUYEUCCZQF-UHFFFAOYSA-NInChI=1/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H36627-53-82-Nitro-5-chloroanisole4-Chloro-2-methoxynitrobenzeneAnisole, 2-nitro-5-chloro-Anisole, 5-chloro-2-nitro-MFCD000072885-Chloro-2-nitro-1-methoxybenzene6227-53-8NSC60112EINECS 229-594-14-chloro-2-methoxy-1-nitro-benzeneNSC 60112UNII-SVY2LTV7GJSCHEMBL1026255-Chloro-2-nitroanisole, 97%5-chloro-2-nitrophenyl methyl ether
Voir la source →
Impliqué dans 63 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→