이름: 1-(4-bromo-2-nitro-phenoxy)-cyclopropanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(Oc2ccc(Br)cc2[N+](=O)[O-])CC1Molecular Processing
Molecular formula
C12H12BrNO5
Molecular weight
330.13
Exact mass
328.9899
XLogP
2.83
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70.02
Supplementary Information
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