이름: (E)-(4-bromo-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-ylidene)acetonitrile
SMILES:
N#C/C=C1\CCc2cc(Br)c3c(c21)CCO3Molecular Processing
Molecular formula
C13H10BrNO
Molecular weight
276.13
Exact mass
274.9946
XLogP
3.24
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
65.25
Supplementary Information
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