Home Halogens tert-butyl N-(2-bromo-5-cyanophenyl)carbamate

tert-butyl N-(2-bromo-5-cyanophenyl)carbamate

CAS No.:
1889801-72-2
Catalog Number:
AG01DZ6W
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
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Product Description
Catalog Number:
AG01DZ6W
Chemical Name:
tert-butyl N-(2-bromo-5-cyanophenyl)carbamate
CAS Number:
1889801-72-2
Molecular Formula:
C12H13BrN2O2
Molecular Weight:
297.1478
MDL Number:
MFCD31559723
IUPAC Name:
tert-butyl N-(2-bromo-5-cyanophenyl)carbamate
InChI:
InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-8(7-14)4-5-9(10)13/h4-6H,1-3H3,(H,15,16)
InChI Key:
LNWJWNIWBIWDNN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)NC(=O)OC(C)(C)C)Br
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.016g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.152g/mol
Monoisotopic Mass:
296.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties