C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)I
CAS: 125735-40-2
Name: 1-benzhydryl-3-iodoazetidine
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)I

Molecular Processing

Molecular formula
C16H16IN
Molecular weight
349.22
Exact mass
349.0327
XLogP
3.9
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
84.11

Supplementary Information

InChIKey: IBCVAYQWXMWFLD-UHFFFAOYSA-N
Synonyme
1-benzhydryl-3-iodoazetidine125735-40-2DTXSID80428546RefChem:227778DTXCID603793801-(diphenylmethyl)-3-iodoazetidine1-benzhydryl-3-iodo-azetidineMFCD08062427Azetidine, 1-(diphenylmethyl)-3-iodo-3-Iodo-N-benzhydryl-azetidineC16H16IN1-Diphenylmethyl-3-iodoazetidineSCHEMBL1602721IBCVAYQWXMWFLD-UHFFFAOYSA-NAKOS015912378SB10267AC-37521DS-18282SY029585DB-062406CS-0006549EN300-386223F024815
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