Home Other Building Blocks 1-Chloro-4-(1,1-dimethylethyl)benzene

1-Chloro-4-(1,1-dimethylethyl)benzene

CAS No.:
3972-56-3
Catalog Number:
AG003E81
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$100
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003E81
Chemical Name:
1-Chloro-4-(1,1-dimethylethyl)benzene
CAS Number:
3972-56-3
Molecular Formula:
C10H13Cl
Molecular Weight:
168.6632
MDL Number:
MFCD00236378
IUPAC Name:
1-tert-butyl-4-chlorobenzene
InChI:
InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChI Key:
XRTANKYQJQXSFP-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)Cl)(C)C
EC Number:
223-598-7
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.071g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.664g/mol
Monoisotopic Mass:
168.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties