Home Halogens N,N-Bis(BOC)-5-chloro-4-methyl-2-nitroaniline

N,N-Bis(BOC)-5-chloro-4-methyl-2-nitroaniline

CAS No.:
1820640-19-4
Catalog Number:
AG00I0M1
Molecular Formula:
C17H23ClN2O6
Molecular Weight:
386.8273
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00I0M1
Chemical Name:
N,N-Bis(BOC)-5-chloro-4-methyl-2-nitroaniline
CAS Number:
1820640-19-4
Molecular Formula:
C17H23ClN2O6
Molecular Weight:
386.8273
MDL Number:
MFCD26523321
IUPAC Name:
tert-butyl N-(5-chloro-4-methyl-2-nitrophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C17H23ClN2O6/c1-10-8-13(20(23)24)12(9-11(10)18)19(14(21)25-16(2,3)4)15(22)26-17(5,6)7/h8-9H,1-7H3
InChI Key:
NFKWKAWFIVGZFY-UHFFFAOYSA-N
SMILES:
O=C(N(c1cc(Cl)c(cc1[N+](=O)[O-])C)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.124g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.829g/mol
Monoisotopic Mass:
386.124g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties