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Home > Nitro Compounds > 18240-94-3
18240-94-3 | Guanidine, N-butyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 18240-94-3 Catalog No: AG0023U7 MDL No:
Product Description
Catalog Number:
AG0023U7
Chemical Name:
Guanidine, N-butyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
18240-94-3
Molecular Formula:
C11H16N6O7
Molecular Weight:
344.2807
IUPAC Name:
2-butylguanidine;2,4,6-trinitrophenol
InChI:
InChI=1S/C6H3N3O7.C5H13N3/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-3-4-8-5(6)7/h1-2,10H;2-4H2,1H3,(H4,6,7,8)
InChI Key:
VWFQIZQTESDUSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CCCCNC(=N)N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.108g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
344.284g/mol
Monoisotopic Mass:
344.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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