(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid

C9H8BrNO5 — CID 103338288

IUPAC(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid
SMILESC[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C(=O)O
InChIInChI=1S/C9H8BrNO5/c1-5(9(12)13)16-8-4-6(11(14)15)2-3-7(8)10/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyXBBIZWOQTVYXPT-RXMQYKEDSA-N
MW290.07 g/mol
LogP2.21
Rot. Bonds4

About (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid

(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid (PubChem CID 103338288) has the molecular formula C9H8BrNO5 and a molecular weight of 290.07 g/mol. Its IUPAC name is (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid
PubChem CID103338288
Molecular FormulaC9H8BrNO5
Molecular Weight290.07 g/mol
Exact Mass288.96
IUPAC Name(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid
SMILESC[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C(=O)O
InChIInChI=1S/C9H8BrNO5/c1-5(9(12)13)16-8-4-6(11(14)15)2-3-7(8)10/h2-5H,1H3,(H,12,13)/t5-/m1/s1
InChIKeyXBBIZWOQTVYXPT-RXMQYKEDSA-N
XLogP2.21
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(2-bromo-5-nitrophenoxy)butan-2-one
CID 103011057
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylpropanamide
CID 103013438
2-(2-bromo-5-nitrophenoxy)-N-tert-butylpropanamide
CID 103013432
2-(2-bromo-5-nitrophenoxy)-N-(2-methoxyethyl)propanamide
CID 103013613
2-(2-bromo-5-nitrophenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 103011080
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
4-(2-bromo-5-nitrophenoxy)-2-(methylamino)butanoic acid
CID 103012584
1-(2-bromo-5-nitrophenoxy)butan-2-ol
CID 102977771
2-(1-amino-1-oxopropan-2-yl)oxy-5-nitrobenzoic acid
CID 43472842
(2R)-2-(2-bromo-3-nitrophenoxy)propanoic acid
CID 103338217
1-(2-bromo-5-nitrophenoxy)-2-methylpropan-2-ol
CID 102977775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid?
The IUPAC name of (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid (CID 103338288) is (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid is C[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C(=O)O.
What is the InChIKey of (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid?
The InChIKey is XBBIZWOQTVYXPT-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8BrNO5/c1-5(9(12)13)16-8-4-6(11(14)15)2-3-7(8)10/h2-5H,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid?
(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid has a molecular weight of 290.07 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid is sourced from PubChem (CID 103338288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).