(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone

C13H7BrClNO3 — CID 68537792

IUPAC(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrClNO3/c14-12-7-9(15)3-6-11(12)13(17)8-1-4-10(5-2-8)16(18)19/h1-7H
InChIKeyOQYUQNLUKRSYIB-UHFFFAOYSA-N
MW340.56 g/mol
LogP4.24
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone

(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone (PubChem CID 68537792) has the molecular formula C13H7BrClNO3 and a molecular weight of 340.56 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
PubChem CID68537792
Molecular FormulaC13H7BrClNO3
Molecular Weight340.56 g/mol
Exact Mass338.93
IUPAC Name(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H7BrClNO3/c14-12-7-9(15)3-6-11(12)13(17)8-1-4-10(5-2-8)16(18)19/h1-7H
InChIKeyOQYUQNLUKRSYIB-UHFFFAOYSA-N
XLogP4.24
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
2-bromo-N-(2-bromo-4-nitrophenyl)-4-chlorobenzamide
CID 107988092
2-bromo-N-(2-bromo-5-nitrophenyl)-4-chlorobenzamide
CID 107988324
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322
2,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3591876
2-(4-nitrobenzoyl)terephthalate
CID 4534019
(4-chlorophenyl)-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methanone
CID 5301093
(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 12585195
[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
CID 134514418
[5-chloro-2-(4-nitroanilino)phenyl]-phenylmethanone
CID 3826701

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone (CID 68537792) is (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone is O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone?
The InChIKey is OQYUQNLUKRSYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO3/c14-12-7-9(15)3-6-11(12)13(17)8-1-4-10(5-2-8)16(18)19/h1-7H.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone?
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone has a molecular weight of 340.56 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone is sourced from PubChem (CID 68537792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).