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114107-33-4 | [1,1'-Biphenyl]-2-amine, 2',3,5,6'-tetranitro-
CAS No: 114107-33-4 Catalog No: AG000AKM MDL No:
Product Description
Catalog Number:
AG000AKM
Chemical Name:
[1,1'-Biphenyl]-2-amine, 2',3,5,6'-tetranitro-
CAS Number:
114107-33-4
Molecular Formula:
C12H7N5O8
Molecular Weight:
349.2127
IUPAC Name:
2-(2,6-dinitrophenyl)-4,6-dinitroaniline
InChI:
InChI=1S/C12H7N5O8/c13-12-7(4-6(14(18)19)5-10(12)17(24)25)11-8(15(20)21)2-1-3-9(11)16(22)23/h1-5H,13H2
InChI Key:
WFLHKZXURPCFFV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)c1c(cccc1[N+](=O)[O-])[N+](=O)[O-])N
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.029g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.215g/mol
Monoisotopic Mass:
349.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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