1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene

C13H8BrClFNO — CID 123401712

IUPAC1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene
SMILESO=NC(c1ccccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrClFNO/c14-10-6-3-5-9(12(10)16)13(17-18)8-4-1-2-7-11(8)15/h1-7,13H
InChIKeyBNRFYSLLFPWVDN-UHFFFAOYSA-N
MW328.57 g/mol
LogP5.10
Rot. Bonds3

About 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene

1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene (PubChem CID 123401712) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene
PubChem CID123401712
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene
SMILESO=NC(c1ccccc1Cl)c1cccc(Br)c1F
InChIInChI=1S/C13H8BrClFNO/c14-10-6-3-5-9(12(10)16)13(17-18)8-4-1-2-7-11(8)15/h1-7,13H
InChIKeyBNRFYSLLFPWVDN-UHFFFAOYSA-N
XLogP5.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
1-Bromo-2-fluoro-3-[nitroso(phenyl)methyl]benzene
CID 123555460
1-Bromo-2-fluoro-3-[(4-fluorophenyl)-nitrosomethyl]benzene
CID 123576309
5-Bromo-I+/--(4-chlorophenyl)-2-fluorobenzenemethanamine
CID 24692201
(4-Bromophenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 24693084
(4-Bromo-2-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24697243
(4-Bromophenyl)-(2-chloro-6-fluorophenyl)methanamine
CID 24704521
(4-Bromophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 24709014
(4-Bromophenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 24709830
(2-Bromo-4-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24710844
(2-Bromo-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 24711327
(2-Chloro-4-fluorophenyl)-(2,5-dibromophenyl)methanamine
CID 43100650

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene (CID 123401712) is 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene is O=NC(c1ccccc1Cl)c1cccc(Br)c1F.
What is the InChIKey of 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene?
The InChIKey is BNRFYSLLFPWVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-10-6-3-5-9(12(10)16)13(17-18)8-4-1-2-7-11(8)15/h1-7,13H.
What are the key properties of 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene?
1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene has a molecular weight of 328.57 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(2-chlorophenyl)-nitrosomethyl]-2-fluorobenzene is sourced from PubChem (CID 123401712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).