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LS-43207,N,N-Bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride,BENZY

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摘 要:LS-43207,N,N-Bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride,BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-NITRO-, HYDROCHLORIDE,40136-95-6, bis(2-chloroethyl)-[(4-nitrophenyl)methyl]azanium chloride,Canonical SMILES: C1=CC(=CC=C1C[NH+](CCCl)CCCl)[N+](=O
[Synonyms]
LS-43207
N,N-Bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride
BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-4-NITRO-, HYDROCHLORIDE
40136-95-6

[Structure]
LS-43207,N,N-Bis(2-chloroethyl)-4-nitrobenzylamine hydrochloride,BENZY

[ Properties Computed from Structure]
Molecular Weight313.608 [g/mol]
Molecular FormulaC11H15Cl3N2O2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count6
Exact Mass312.019911
MonoIsotopic Mass312.019911
Topological Polar Surface Area47.6
Heavy Atom Count18
Formal Charge0
Complexity222
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: bis(2-chloroethyl)-[(4-nitrophenyl)methyl]azanium chloride
Canonical SMILES: C1=CC(=CC=C1C[NH+](CCCl)CCCl)[N+](=O)[O-].[Cl-]
InChI: InChI=1/C11H14Cl2N2O2.ClH/c12-5-7-14(8-6-13)9-10-1-3-11(4-2-10)15(16)17;
/h1-4H,5-9H2;1H/fC11H15Cl2N2O2.Cl/h14H;1h/q+1;-1

 
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