COC(=O)Oc1cc([N+](=O)[O-])c(Br)cc1C
名称: 4-bromo-2-methyl-5-nitrophenyl methyl carbonate
SMILES: COC(=O)Oc1cc([N+](=O)[O-])c(Br)cc1C

Molecular Processing

Molecular formula
C9H8BrNO5
Molecular weight
290.07
Exact mass
288.9586
XLogP
2.81
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
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
0.222
Molar refractivity
58.57

Supplementary Information

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