CC(C)CCC1=CC=CC=C1I
CAS: 869658-61-7
Name: 1-iodo-2-(3-methylbutyl)benzene
SMILES: CC(C)CCC1=CC=CC=C1I

Molecular Processing

Molecular formula
C11H15I
Molecular weight
274.14
Exact mass
274.0218
XLogP
3.88
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
3
Heavy atoms
12
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
0.455
Molar refractivity
62.32

Supplementary Information

InChIKey: AVUBIGJOVYTJKL-UHFFFAOYSA-N
Synonyme
1-Iodo-2-(3-methyl-butyl)-benzene869658-61-7SCHEMBL4368919AVUBIGJOVYTJKL-UHFFFAOYSA-N1-iodo-2-(3-methylbutyl)benzeneDTXSID201303578
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