3-(5-chloro-2-nitrophenyl)fluoranthene

C22H12ClNO2 — CID 134301029

IUPAC3-(5-chloro-2-nitrophenyl)fluoranthene
SMILESO=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C22H12ClNO2/c23-13-8-11-21(24(25)26)20(12-13)16-9-10-19-15-5-2-1-4-14(15)17-6-3-7-18(16)22(17)19/h1-12H
InChIKeyFUTAQYINUQTPNZ-UHFFFAOYSA-N
MW357.80 g/mol
LogP6.72
Rot. Bonds2

About 3-(5-chloro-2-nitrophenyl)fluoranthene

3-(5-chloro-2-nitrophenyl)fluoranthene (PubChem CID 134301029) has the molecular formula C22H12ClNO2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-(5-chloro-2-nitrophenyl)fluoranthene.

Molecular Properties

Compound Name3-(5-chloro-2-nitrophenyl)fluoranthene
PubChem CID134301029
Molecular FormulaC22H12ClNO2
Molecular Weight357.80 g/mol
Exact Mass357.06
IUPAC Name3-(5-chloro-2-nitrophenyl)fluoranthene
SMILESO=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C22H12ClNO2/c23-13-8-11-21(24(25)26)20(12-13)16-9-10-19-15-5-2-1-4-14(15)17-6-3-7-18(16)22(17)19/h1-12H
InChIKeyFUTAQYINUQTPNZ-UHFFFAOYSA-N
XLogP6.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.80
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
3-nitrobenzo[b]phenalen-7-one
CID 2825690
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
3-(4-chloro-2-methylsulfanylphenyl)fluoranthene
CID 166846666
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
11-(5-chloro-2-nitrophenyl)-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118356941
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
6-chloro-4-(2-nitrophenyl)-1H-indole
CID 90257503
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-nitrophenyl)fluoranthene?
The IUPAC name of 3-(5-chloro-2-nitrophenyl)fluoranthene (CID 134301029) is 3-(5-chloro-2-nitrophenyl)fluoranthene.
What is the SMILES notation for 3-(5-chloro-2-nitrophenyl)fluoranthene?
The canonical SMILES for 3-(5-chloro-2-nitrophenyl)fluoranthene is O=[N+]([O-])c1ccc(Cl)cc1-c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-(5-chloro-2-nitrophenyl)fluoranthene?
The InChIKey is FUTAQYINUQTPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClNO2/c23-13-8-11-21(24(25)26)20(12-13)16-9-10-19-15-5-2-1-4-14(15)17-6-3-7-18(16)22(17)19/h1-12H.
What are the key properties of 3-(5-chloro-2-nitrophenyl)fluoranthene?
3-(5-chloro-2-nitrophenyl)fluoranthene has a molecular weight of 357.80 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-nitrophenyl)fluoranthene is sourced from PubChem (CID 134301029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).