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Home Other Building Blocks 5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene

CAS No.:
5122-20-3
Catalog Number:
AG00345V
Molecular Formula:
C12H17I
Molecular Weight:
288.1678
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG00345V
Chemical Name:
5-(tert-Butyl)-2-iodo-1,3-dimethylbenzene
CAS Number:
5122-20-3
Molecular Formula:
C12H17I
Molecular Weight:
288.1678
MDL Number:
MFCD00052173
IUPAC Name:
5-tert-butyl-2-iodo-1,3-dimethylbenzene
InChI:
InChI=1S/C12H17I/c1-8-6-10(12(3,4)5)7-9(2)11(8)13/h6-7H,1-5H3
InChI Key:
SCKWYPTZVFBKKW-UHFFFAOYSA-N
SMILES:
Ic1c(C)cc(cc1C)C(C)(C)C
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.172g/mol
Monoisotopic Mass:
288.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties