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1020252-75-8,MFCD01013391
Catalog No.:AA0006A1
1020252-75-8 | Benzyl 3-bromo-5-nitrophenylcarbamate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$115.00   $80.00
- +
5g
98%
in stock  
$381.00   $267.00
- +
25g
98%
in stock  
$1,080.00   $756.00
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Technical Information
Catalog Number:
AA0006A1
Chemical Name:
Benzyl 3-bromo-5-nitrophenylcarbamate
CAS Number:
1020252-75-8
Molecular Formula:
C14H11BrN2O4
Molecular Weight:
351.1521
MDL Number:
MFCD01013391
IUPAC Name:
benzyl N-(3-bromo-5-nitrophenyl)carbamate
InChI:
InChI=1S/C14H11BrN2O4/c15-11-6-12(8-13(7-11)17(19)20)16-14(18)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChI Key:
YVVHYVDFMBLQQC-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc(Br)cc(c1)[N+](=O)[O-])OCc1ccccc1
Properties
Computed Properties
 
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.99g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.156g/mol
Monoisotopic Mass:
349.99g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1020252-75-8 
Benzyl (3-bromo-5-nitrophenyl)carbamate 
AKOS015834266 
FCH2723061 
RTR-000486 
AJ-95785 
AX8229501 
TR-000486 
ST24024641 
Z6447 
A-4138 
I14-24811 
Benzyl 3-bromo-5-nitrophenylcarbamate 
Carbamic acid, N-(3-bromo-5-nitrophenyl)-, phenylmethyl ester 
Benzyl(3-bromo-5-nitrophenyl)carbamate 
C14H11BrN2O4 
ACMC-2097yf 
CTK4A0562 
DTXSID00674407 
ANW-14581 
MFCD01013391 
ZINC38536987 
Literature
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