C1C2=CC=CC=C2CN1C3=CC=C(C=C3)Br
이름: 2-(4-bromophenyl)-1,3-dihydroisoindole
SMILES: C1C2=CC=CC=C2CN1C3=CC=C(C=C3)Br

Molecular Processing

Molecular formula
C14H12BrN
Molecular weight
274.16
Exact mass
273.0153
XLogP
3.97
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
70.47

Supplementary Information

InChIKey: AOTLWDQSZSDCEF-UHFFFAOYSA-N
동의어
AKOS015965964EU-0048100
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