Home Halogens 5-(tert-Butyl)-2-chlorobenzaldehyde

5-(tert-Butyl)-2-chlorobenzaldehyde

CAS No.:
1160574-90-2
Catalog Number:
AG00MZ3M
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$738
- +
5g
97%
1 week
United States
$2737
- +
Product Description
Catalog Number:
AG00MZ3M
Chemical Name:
5-(tert-Butyl)-2-chlorobenzaldehyde
CAS Number:
1160574-90-2
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
MDL Number:
MFCD11845932
IUPAC Name:
5-tert-butyl-2-chlorobenzaldehyde
InChI:
InChI=1S/C11H13ClO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-7H,1-3H3
InChI Key:
IHPVWNOEIRAVOE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Cl)C(C)(C)C
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.674g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties