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64297-75-2 | Benzene, 1-(1,1-dimethylethyl)-4-iodyl-
CAS No: 64297-75-2 Catalog No: AG00H936 MDL No:
Product Description
Catalog Number:
AG00H936
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-4-iodyl-
CAS Number:
64297-75-2
Molecular Formula:
C10H13IO2
Molecular Weight:
292.1135
IUPAC Name:
1-tert-butyl-4-iodylbenzene
InChI:
InChI=1S/C10H13IO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3
InChI Key:
KPSVIQGYIJGCMK-UHFFFAOYSA-N
SMILES:
O=[I](=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.116g/mol
Monoisotopic Mass:
291.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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