(2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride

C8H5BrClNO3 — CID 101030813

IUPAC(2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride
SMILESO=C(Cl)[C@H](Br)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H5BrClNO3/c9-7(8(10)12)5-1-3-6(4-2-5)11(13)14/h1-4,7H/t7-/m1/s1
InChIKeyDCIKEVJVFMXAAY-SSDOTTSWSA-N
MW278.49 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride

(2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride (PubChem CID 101030813) has the molecular formula C8H5BrClNO3 and a molecular weight of 278.49 g/mol. Its IUPAC name is (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride.

Molecular Properties

Compound Name(2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride
PubChem CID101030813
Molecular FormulaC8H5BrClNO3
Molecular Weight278.49 g/mol
Exact Mass276.91
IUPAC Name(2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride
SMILESO=C(Cl)[C@H](Br)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H5BrClNO3/c9-7(8(10)12)5-1-3-6(4-2-5)11(13)14/h1-4,7H/t7-/m1/s1
InChIKeyDCIKEVJVFMXAAY-SSDOTTSWSA-N
XLogP2.80
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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

1-[(1R,2S)-1,2-dibromo-2-(4-chlorophenyl)ethyl]-4-nitrobenzene
CID 101113752
bis(4-nitrophenyl)methanol
CID 12768612
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943
(4-nitrophenyl) 2-bromo-2-phenylacetate
CID 174215654
2-(4-nitrophenyl)butanedioate
CID 4632512
(2S)-3-methyl-2-(4-nitrophenyl)butanoate
CID 6953073
1-(1-iodoethyl)-4-nitrobenzene
CID 16663559
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
1-(difluoromethyl)-4-nitrobenzene
CID 640443
1-nitro-4-[2,2,2-trichloro-1-(4-nitrophenyl)ethyl]benzene
CID 5102756
[nitrooxy-(4-nitrophenyl)methyl] nitrate
CID 15731305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride?
The IUPAC name of (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride (CID 101030813) is (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride.
What is the SMILES notation for (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride?
The canonical SMILES for (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride is O=C(Cl)[C@H](Br)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride?
The InChIKey is DCIKEVJVFMXAAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H5BrClNO3/c9-7(8(10)12)5-1-3-6(4-2-5)11(13)14/h1-4,7H/t7-/m1/s1.
What are the key properties of (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride?
(2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride has a molecular weight of 278.49 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-(4-nitrophenyl)acetyl chloride is sourced from PubChem (CID 101030813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).