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1163707-73-0 | Benzenamine, 5-bromo-N-(1,1-dimethylethyl)-2-nitro-
CAS No: 1163707-73-0 Catalog No: AG000CBE MDL No:MFCD19981542
Product Description
Catalog Number:
AG000CBE
Chemical Name:
Benzenamine, 5-bromo-N-(1,1-dimethylethyl)-2-nitro-
CAS Number:
1163707-73-0
Molecular Formula:
C10H13BrN2O2
Molecular Weight:
273.1264
MDL Number:
MFCD19981542
IUPAC Name:
5-bromo-N-tert-butyl-2-nitroaniline
InChI:
InChI=1S/C10H13BrN2O2/c1-10(2,3)12-8-6-7(11)4-5-9(8)13(14)15/h4-6,12H,1-3H3
InChI Key:
FXOQUYKHAQDUDT-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(Br)ccc1[N+](=O)[O-])(C)C
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
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