Home Nitriles 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

CAS No.:
58632-95-4
Catalog Number:
AG003F4L
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$39
- +
25g
98%
In Stock USA
United States
$83
- +
100g
98%
In Stock USA
United States
$160
- +
500g
98%
In Stock USA
United States
$668
- +
Product Description
Catalog Number:
AG003F4L
Chemical Name:
2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
CAS Number:
58632-95-4
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD00001863
IUPAC Name:
tert-butyl [(E)-[cyano(phenyl)methylidene]amino] carbonate
InChI:
InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3/b15-11-
InChI Key:
QQWYQAQQADNEIC-PTNGSMBKSA-N
SMILES:
N#C/C(=N/OC(=O)OC(C)(C)C)/c1ccccc1
EC Number:
261-370-9
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
71.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties