Home Bromides 1135351-95-9
1135351-95-9,MFCD12756414
Catalog No.:AA0008U0
1135351-95-9 | N-t-Butyl 4-bromo-2-nitroaniline
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250mg
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Technical Information
Catalog Number:
AA0008U0
Chemical Name:
N-t-Butyl 4-bromo-2-nitroaniline
CAS Number:
1135351-95-9
Molecular Formula:
C10H13BrN2O2
Molecular Weight:
273.1264
MDL Number:
MFCD12756414
IUPAC Name:
4-bromo-N-tert-butyl-2-nitroaniline
InChI:
InChI=1S/C10H13BrN2O2/c1-10(2,3)12-8-5-4-7(11)6-9(8)13(14)15/h4-6,12H,1-3H3
InChI Key:
SUIOMWQYRMBEHM-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Properties
Computed Properties
 
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.13g/mol
Monoisotopic Mass:
272.016g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

Synonyms
 
1135351-95-9 
4-bromo-N-(tert-butyl)-2-nitroaniline 
ANW-16649 
MFCD12756414 
N-tert-butyl 4-bromo-2-nitroaniline 
ZINC38537864 
AKOS008958529 
AJ-96254 
(4-bromo-2-nitro-phenyl)-tert-butyl-amine 
TR-034096 
ST24023415 
Z7479 
N-T-BUTYL 4-BROMO-2-NITROANILINE 
A-5027 
Benzenamine, 4-bromo-N-(1,1-dimethylethyl)-2-nitro- 
I14-25094 
C10H13BrN2O2 
4-bromo-N-tert-butyl-2-nitroaniline 
4-bromo-N-tert-butyl-2-nitrobenzenamine 
ACMC-2099jv 
SCHEMBL3746067 
CTK4A8345 
DTXSID60675374 
SUIOMWQYRMBEHM-UHFFFAOYSA-N 
Literature
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