(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene

C10H5Cl4NO3 — CID 125495369

IUPAC(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1C(Cl)(Cl)Cl
InChIInChI=1S/C10H5Cl4NO3/c11-6-1-2-8-5(3-6)4-7(15(16)17)9(18-8)10(12,13)14/h1-4,9H/t9-/m1/s1
InChIKeyGHSYUDGCDIMAPT-SECBINFHSA-N
MW328.97 g/mol
LogP4.09
Rot. Bonds1

About (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene

(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene (PubChem CID 125495369) has the molecular formula C10H5Cl4NO3 and a molecular weight of 328.97 g/mol. Its IUPAC name is (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene.

Molecular Properties

Compound Name(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene
PubChem CID125495369
Molecular FormulaC10H5Cl4NO3
Molecular Weight328.97 g/mol
Exact Mass326.90
IUPAC Name(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene
SMILESO=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1C(Cl)(Cl)Cl
InChIInChI=1S/C10H5Cl4NO3/c11-6-1-2-8-5(3-6)4-7(15(16)17)9(18-8)10(12,13)14/h1-4,9H/t9-/m1/s1
InChIKeyGHSYUDGCDIMAPT-SECBINFHSA-N
XLogP4.09
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.97
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-chloro-2-(2-chlorophenyl)-3-nitro-2H-chromene
CID 6925452
6-chloro-2-ethoxy-3-nitro-2H-chromene
CID 12777115
6-chloro-2-(4-methylsulfanylphenyl)-3-nitro-2H-chromene
CID 2732972
(2R)-6-chloro-2-(4-nitrophenyl)-2H-chromene-3-carbaldehyde
CID 102365605
triethyl-[2-[3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl]ethynyl]silane
CID 164628974
4-nitrooxybutyl 6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 72991635
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
ethyl 6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 15458898
4-methyl-3-nitro-2-(trichloromethyl)-2H-chromene
CID 45490068
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
4-chloro-N-(4-chlorophenyl)-N-methyl-2-nitroaniline
CID 67905475
4-chloro-2-nitroaniline
CID 6979

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene?
The IUPAC name of (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene (CID 125495369) is (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene.
What is the SMILES notation for (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene?
The canonical SMILES for (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene is O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1C(Cl)(Cl)Cl.
What is the InChIKey of (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene?
The InChIKey is GHSYUDGCDIMAPT-SECBINFHSA-N. The full InChI is InChI=1S/C10H5Cl4NO3/c11-6-1-2-8-5(3-6)4-7(15(16)17)9(18-8)10(12,13)14/h1-4,9H/t9-/m1/s1.
What are the key properties of (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene?
(2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene has a molecular weight of 328.97 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-3-nitro-2-(trichloromethyl)-2H-chromene is sourced from PubChem (CID 125495369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).