Home Other Building Blocks 4-(tert-butyl)benzoyl cyanide

4-(tert-butyl)benzoyl cyanide

CAS No.:
179612-25-0
Catalog Number:
AG01DVUK
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
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Product Description
Catalog Number:
AG01DVUK
Chemical Name:
4-(tert-butyl)benzoyl cyanide
CAS Number:
179612-25-0
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD16302624
IUPAC Name:
4-tert-butylbenzoyl cyanide
InChI:
InChI=1S/C12H13NO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,1-3H3
InChI Key:
ZZJPTGVBFUIMFD-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties