tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate

C11H13BrN2O3 — CID 147354820

IUPACtert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)cc1N=O
InChIInChI=1S/C11H13BrN2O3/c1-11(2,3)17-10(15)13-8-5-4-7(12)6-9(8)14-16/h4-6H,1-3H3,(H,13,15)
InChIKeyDGCJYEBMHUGEQP-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.19
Rot. Bonds2

About tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate

tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate (PubChem CID 147354820) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
PubChem CID147354820
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Nametert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Br)cc1N=O
InChIInChI=1S/C11H13BrN2O3/c1-11(2,3)17-10(15)13-8-5-4-7(12)6-9(8)14-16/h4-6H,1-3H3,(H,13,15)
InChIKeyDGCJYEBMHUGEQP-UHFFFAOYSA-N
XLogP4.19
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate?
The IUPAC name of tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate (CID 147354820) is tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(Br)cc1N=O.
What is the InChIKey of tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate?
The InChIKey is DGCJYEBMHUGEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-11(2,3)17-10(15)13-8-5-4-7(12)6-9(8)14-16/h4-6H,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate?
tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate has a molecular weight of 301.14 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate is sourced from PubChem (CID 147354820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).