Home Nitros 3-(4-BOC-piperazino)-4-nitroanisole

3-(4-BOC-piperazino)-4-nitroanisole

CAS No.:
1215205-93-8
Catalog Number:
AG00156F
Molecular Formula:
C16H23N3O5
Molecular Weight:
337.3709
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$113
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00156F
Chemical Name:
3-(4-BOC-piperazino)-4-nitroanisole
CAS Number:
1215205-93-8
Molecular Formula:
C16H23N3O5
Molecular Weight:
337.3709
MDL Number:
MFCD12546465
IUPAC Name:
tert-butyl 4-(5-methoxy-2-nitrophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H23N3O5/c1-16(2,3)24-15(20)18-9-7-17(8-10-18)14-11-12(23-4)5-6-13(14)19(21)22/h5-6,11H,7-10H2,1-4H3
InChI Key:
OGPKHZOURJVUKL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
452  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.164g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.376g/mol
Monoisotopic Mass:
337.164g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties