(3-bromo-5-nitrophenyl)-phenylmethanone

C13H8BrNO3 — CID 71285821

IUPAC(3-bromo-5-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H8BrNO3/c14-11-6-10(7-12(8-11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyGTOVAGYCZFQBIW-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.59
Rot. Bonds3

About (3-bromo-5-nitrophenyl)-phenylmethanone

(3-bromo-5-nitrophenyl)-phenylmethanone (PubChem CID 71285821) has the molecular formula C13H8BrNO3 and a molecular weight of 306.12 g/mol. Its IUPAC name is (3-bromo-5-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-bromo-5-nitrophenyl)-phenylmethanone
PubChem CID71285821
Molecular FormulaC13H8BrNO3
Molecular Weight306.12 g/mol
Exact Mass304.97
IUPAC Name(3-bromo-5-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H8BrNO3/c14-11-6-10(7-12(8-11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
InChIKeyGTOVAGYCZFQBIW-UHFFFAOYSA-N
XLogP3.59
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.59
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

aniline;1-bromo-3,5-dinitrobenzene
CID 175293083
(2-amino-5-bromophenyl)-(3,5-dinitrophenyl)methanone
CID 4710857
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(3-nitrophenyl)-phenylmethanone;thiourea
CID 174541528
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
[3-(4-hydroxybenzoyl)-5-nitrophenyl]-(4-hydroxyphenyl)methanone
CID 12070506
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
4-(3-nitrobenzoyl)benzoic acid
CID 803392
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-nitrophenyl)-phenylmethanone?
The IUPAC name of (3-bromo-5-nitrophenyl)-phenylmethanone (CID 71285821) is (3-bromo-5-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (3-bromo-5-nitrophenyl)-phenylmethanone?
The canonical SMILES for (3-bromo-5-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-bromo-5-nitrophenyl)-phenylmethanone?
The InChIKey is GTOVAGYCZFQBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO3/c14-11-6-10(7-12(8-11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H.
What are the key properties of (3-bromo-5-nitrophenyl)-phenylmethanone?
(3-bromo-5-nitrophenyl)-phenylmethanone has a molecular weight of 306.12 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 71285821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).