Home Other Building Blocks tert-butyl 4-isocyanatobenzoate

tert-butyl 4-isocyanatobenzoate

CAS No.:
75294-50-7
Catalog Number:
AG01BD8H
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG01BD8H
Chemical Name:
tert-butyl 4-isocyanatobenzoate
CAS Number:
75294-50-7
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD24451070
IUPAC Name:
tert-butyl 4-isocyanatobenzoate
InChI:
InChI=1S/C12H13NO3/c1-12(2,3)16-11(15)9-4-6-10(7-5-9)13-8-14/h4-7H,1-3H3
InChI Key:
RVYPZXSBYFJLDZ-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)C(=O)OC(C)(C)C
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties