CC1=C(C=CC(=C1)Cl)I
CAS: 23399-70-4
Name: 4-chloro-1-iodo-2-methylbenzene
SMILES: CC1=C(C=CC(=C1)Cl)I

Molecular Processing

Molecular formula
C7H6ClI
Molecular weight
252.48
Exact mass
251.9203
XLogP
3.25
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
48.91

Supplementary Information

InChIKey: ZZNUQVQAJVZRKW-UHFFFAOYSA-N
Synonyme
4-chloro-1-iodo-2-methylbenzeneRefChem:520768641-184-85-Chloro-2-iodotoluene23399-70-4benzene, 4-chloro-1-iodo-2-methyl-MFCD000606654-chloro-1-iodo-2-methyl-benzene2-iodo-5-chlorotolueneSCHEMBL395280SCHEMBL16956572SCHEMBL30082416DTXSID00370917YAA39970Benzene, 4-chloro-2-methyl-1-iodoAKOS009157513Benzene, 1-chloro-4-iodo-5-methyl-CS-W012613AC-25927DS-12366SY040759DB-046140EN300-245583F018386
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