(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine

C13H6Cl4N2O — CID 6052606

IUPAC(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine
SMILESNc1c(Cl)c(Cl)c2c(c1Cl)/C(=N\O)c1cc(Cl)ccc1-2
InChIInChI=1S/C13H6Cl4N2O/c14-4-1-2-5-6(3-4)13(19-20)8-7(5)9(15)11(17)12(18)10(8)16/h1-3,20H,18H2/b19-13-
InChIKeyDMARQYLACRGRIG-UYRXBGFRSA-N
MW348.02 g/mol
LogP5.09
Rot. Bonds

About (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine

(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine (PubChem CID 6052606) has the molecular formula C13H6Cl4N2O and a molecular weight of 348.02 g/mol. Its IUPAC name is (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine
PubChem CID6052606
Molecular FormulaC13H6Cl4N2O
Molecular Weight348.02 g/mol
Exact Mass345.92
IUPAC Name(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine
SMILESNc1c(Cl)c(Cl)c2c(c1Cl)/C(=N\O)c1cc(Cl)ccc1-2
InChIInChI=1S/C13H6Cl4N2O/c14-4-1-2-5-6(3-4)13(19-20)8-7(5)9(15)11(17)12(18)10(8)16/h1-3,20H,18H2/b19-13-
InChIKeyDMARQYLACRGRIG-UYRXBGFRSA-N
XLogP5.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.02
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine (CID 6052606) is (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine is Nc1c(Cl)c(Cl)c2c(c1Cl)/C(=N\O)c1cc(Cl)ccc1-2.
What is the InChIKey of (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine?
The InChIKey is DMARQYLACRGRIG-UYRXBGFRSA-N. The full InChI is InChI=1S/C13H6Cl4N2O/c14-4-1-2-5-6(3-4)13(19-20)8-7(5)9(15)11(17)12(18)10(8)16/h1-3,20H,18H2/b19-13-.
What are the key properties of (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine?
(NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine has a molecular weight of 348.02 g/mol, XLogP of 5.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-amino-1,3,4,7-tetrachlorofluoren-9-ylidene)hydroxylamine is sourced from PubChem (CID 6052606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).