CAS: 7745-93-9
Nombre: 2-bromo-1-methyl-4-nitrobenzene
SMILES:
CC1=C(C=C(C=C1)[N+](=O)[O-])BrMolecular Processing
Molecular formula
C7H6BrNO2
Molecular weight
216.03
Exact mass
214.9582
XLogP
2.67
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
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
45.53
Supplementary Information
InChIKey: XFZFJQHXWJIBQV-UHFFFAOYSA-N
Sinónimos
2-Bromo-4-nitrotoluene7745-93-92-Bromo-1-methyl-4-nitrobenzeneBenzene, 2-bromo-1-methyl-4-nitro-EINECS 231-809-9XFZFJQHXWJIBQV-UHFFFAOYSA-DTXSID20228163NSC 402166RefChem:466612DTXCID40150654231-809-9InChI=1/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3MFCD00007195Toluene, 2-bromo-4-nitro-1-Bromo-2-methyl-5-nitrobenzene2-bromo-1-methyl-4-nitro-benzene3-Bromo-4-methylnitrobenzene3-bromo-4-methyl nitrobenzene3-bromo-4-methyl-1-nitrobenzeneNSC4021662-Bromo-4nitrotoluene2-Bromo4-nitrotoluene2-Brom-4-nitrotoluol2-Bromo-4-nirotoluene2-bromo-4-nitro-toluene4-nitro-2-bromo tolueneSCHEMBL113519SCHEMBL62535302-Bromo-4-nitrotoluene, 98%SCHEMBL29874193
Participa en 66 reacciones→