sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 4-Bromo-N-tert-butyl-5-ethoxy-2-nitroaniline

4-Bromo-N-tert-butyl-5-ethoxy-2-nitroaniline

CAS No.:
1280786-66-4
Catalog Number:
AG000XRW
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$63
- +
5g
98%
In Stock USA
United States
$188
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG000XRW
Chemical Name:
4-Bromo-N-tert-butyl-5-ethoxy-2-nitroaniline
CAS Number:
1280786-66-4
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
MDL Number:
MFCD18783108
IUPAC Name:
4-bromo-N-tert-butyl-5-ethoxy-2-nitroaniline
InChI:
InChI=1S/C12H17BrN2O3/c1-5-18-11-7-9(14-12(2,3)4)10(15(16)17)6-8(11)13/h6-7,14H,5H2,1-4H3
InChI Key:
HXTPJLMWDWBTNX-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(C)(C)C)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.183g/mol
Monoisotopic Mass:
316.042g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties