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19099-54-8 | Benzene, 1-iodo-2-(1-methylethyl)-
CAS No: 19099-54-8 Catalog No: AG002EYO MDL No:MFCD00013704
Product Description
Catalog Number:
AG002EYO
Chemical Name:
Benzene, 1-iodo-2-(1-methylethyl)-
CAS Number:
19099-54-8
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
MDL Number:
MFCD00013704
IUPAC Name:
1-iodo-2-propan-2-ylbenzene
InChI:
InChI=1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChI Key:
SORQIYFSJAWBNQ-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1I)C
EC Number:
242-819-8
Properties
Complexity:
98.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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