Home Halogens N-Bis-boc-4-bromo-2-chloroaniline

N-Bis-boc-4-bromo-2-chloroaniline

CAS No.:
1314987-48-8
Catalog Number:
AG00HSIP
Molecular Formula:
C16H21BrClNO4
Molecular Weight:
406.6992
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG00HSIP
Chemical Name:
N-Bis-boc-4-bromo-2-chloroaniline
CAS Number:
1314987-48-8
Molecular Formula:
C16H21BrClNO4
Molecular Weight:
406.6992
MDL Number:
MFCD08703149
IUPAC Name:
tert-butyl N-(4-bromo-2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C16H21BrClNO4/c1-15(2,3)22-13(20)19(14(21)23-16(4,5)6)12-8-7-10(17)9-11(12)18/h7-9H,1-6H3
InChI Key:
OWUPQDPIERQERF-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Cl)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.034g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.701g/mol
Monoisotopic Mass:
405.034g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties