Home Nitriles 3-tert-Butylbenzonitrile

3-tert-Butylbenzonitrile

CAS No.:
154532-34-0
Catalog Number:
AG00HY91
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$12
- +
5g
97%
1 week
United States
$25
- +
10g
97%
1 week
United States
$39
- +
25g
97%
1 week
United States
$71
- +
Product Description
Catalog Number:
AG00HY91
Chemical Name:
3-tert-Butylbenzonitrile
CAS Number:
154532-34-0
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD08448298
IUPAC Name:
3-tert-butylbenzonitrile
InChI:
InChI=1S/C11H13N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-7H,1-3H3
InChI Key:
YDWBCSZHGGMJAB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(C)(C)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties