CC1=CC=C(C=C1)I
CAS: 624-31-7
Name: 1-iodo-4-methylbenzene
SMILES: CC1=CC=C(C=C1)I

Molecular Processing

Molecular formula
C7H7I
Molecular weight
218.04
Exact mass
217.9592
XLogP
2.6
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
43.9

Supplementary Information

InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
Synonyme
4-Iodotoluene1-Iodo-4-methylbenzene624-31-7P-IODOTOLUENEBenzene, 1-iodo-4-methyl-p-Tolyl iodidep-MethyliodobenzeneToluene, p-iodo-1-Methyl-4-iodobenzeneG75KCN1AM8NSC-3776DTXSID4060785RefChem:858092DTXCID6043333210-841-7MFCD000010591-iodo-4-methyl-benzene4-methyliodobenzeneUNII-G75KCN1AM84-METHYLPHENYL IODIDEp-tolyliodidep-iodo toluene4-METHYL-1-IODOBENZENE4-iodo tolueneNSC37764-iodophenylmethaneNSC 3776XQMEINECS 210-841-74-methyl-iodobenzene
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