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Home > Nitro Compounds > 13684-31-6
13684-31-6 | [1,1'-Biphenyl]-4-ol, 3,4',5-trinitro-
CAS No: 13684-31-6 Catalog No: AG0012GG MDL No:
Product Description
Catalog Number:
AG0012GG
Chemical Name:
[1,1'-Biphenyl]-4-ol, 3,4',5-trinitro-
CAS Number:
13684-31-6
Molecular Formula:
C12H7N3O7
Molecular Weight:
305.1999
IUPAC Name:
2,6-dinitro-4-(4-nitrophenyl)phenol
InChI:
InChI=1S/C12H7N3O7/c16-12-10(14(19)20)5-8(6-11(12)15(21)22)7-1-3-9(4-2-7)13(17)18/h1-6,16H
InChI Key:
FHTDWPRNGLZIRR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
NSC Number:
95697
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.202g/mol
Monoisotopic Mass:
305.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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