Home Halogens 3-t-Butyl-5-chlorotoluene

3-t-Butyl-5-chlorotoluene

CAS No.:
61468-39-1
Catalog Number:
AG003JWL
Molecular Formula:
C11H15Cl
Molecular Weight:
182.6898
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$100
- +
5g
95%
In Stock USA
United States
$300
- +
25g
95%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003JWL
Chemical Name:
3-t-Butyl-5-chlorotoluene
CAS Number:
61468-39-1
Molecular Formula:
C11H15Cl
Molecular Weight:
182.6898
MDL Number:
MFCD15143550
IUPAC Name:
1-tert-butyl-3-chloro-5-methylbenzene
InChI:
InChI=1S/C11H15Cl/c1-8-5-9(11(2,3)4)7-10(12)6-8/h5-7H,1-4H3
InChI Key:
PGWGZYIVAPNUTH-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)cc(c1)C(C)(C)C
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.086g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.691g/mol
Monoisotopic Mass:
182.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties