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10066-18-9,MFCD01051337
Catalog No.:AA0002J0
10066-18-9 | N-Benzyl-4-chloro-2-nitroaniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
>95%
1 week  
$557.00   $390.00
- +
500mg
>95%
1 week  
$795.00   $556.00
- +
1g
>95%
1 week  
$1,228.00   $860.00
- +
2g
>95%
1 week  
$2,086.00   $1,461.00
- +
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Technical Information
Catalog Number:
AA0002J0
Chemical Name:
N-Benzyl-4-chloro-2-nitroaniline
CAS Number:
10066-18-9
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
MDL Number:
MFCD01051337
IUPAC Name:
N-benzyl-4-chloro-2-nitroaniline
InChI:
InChI=1S/C13H11ClN2O2/c14-11-6-7-12(13(8-11)16(17)18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChI Key:
LTSBSRAZIKXNMH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])NCc1ccccc1
Properties
Computed Properties
 
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Synonyms
 
N-benzyl-4-chloro-2-nitroaniline 
10066-18-9 
8F-306S 
MCULE-2386052603 
KS-0000209M 
Benzyl-(4-chloro-2-nitro-phenyl)-amine 
BAS 00619370 
VU0549322-1 
L-2696 
F9995-0228 
ZINC04831980 
CID2853191 
Benzenemethanamine, N-(4-chloro-2-nitrophenyl)- 
AC1MECX3 
SCHEMBL2465858 
CTK0G8715 
DTXSID00386114 
ZINC4831980 
STK498390 
AKOS000560083 
Literature
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