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116529-41-0 | Benzenamine, 2-bromo-3,5-dinitro-
CAS No: 116529-41-0 Catalog No: AG000CPL MDL No:
Product Description
Catalog Number:
AG000CPL
Chemical Name:
Benzenamine, 2-bromo-3,5-dinitro-
CAS Number:
116529-41-0
Molecular Formula:
C6H4BrN3O4
Molecular Weight:
262.0177
IUPAC Name:
2-bromo-3,5-dinitroaniline
InChI:
InChI=1S/C6H4BrN3O4/c7-6-4(8)1-3(9(11)12)2-5(6)10(13)14/h1-2H,8H2
InChI Key:
JGZQMSNJOVFRQE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.939g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.019g/mol
Monoisotopic Mass:
260.939g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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