名称: 2-bromo-1-(3-nitrophenyl)ethanone
SMILES:
O=C(CBr)c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C8H6BrNO3
Molecular weight
244.04
Exact mass
242.9531
XLogP
2.17
TPSA
60.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
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
0.125
Molar refractivity
51.22
Supplementary Information
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