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58632-95-4 | N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide
CAS No: 58632-95-4 Catalog No: AG003F4L MDL No:MFCD00001863
Product Description
Catalog Number:
AG003F4L
Chemical Name:
N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide
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
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