sodium;4-(2,5-dibromophenyl)benzoic acid;hydride

C13H9Br2NaO2 — CID 173086099

IUPACsodium;4-(2,5-dibromophenyl)benzoic acid;hydride
SMILESO=C(O)c1ccc(-c2cc(Br)ccc2Br)cc1.[H-].[Na+]
InChIInChI=1S/C13H8Br2O2.Na.H/c14-10-5-6-12(15)11(7-10)8-1-3-9(4-2-8)13(16)17;;/h1-7H,(H,16,17);;/q;+1;-1
InChIKeyPGPZWMZSUCEBQS-UHFFFAOYSA-N
MW380.01 g/mol
LogP1.69
Rot. Bonds2

About sodium;4-(2,5-dibromophenyl)benzoic acid;hydride

sodium;4-(2,5-dibromophenyl)benzoic acid;hydride (PubChem CID 173086099) has the molecular formula C13H9Br2NaO2 and a molecular weight of 380.01 g/mol. Its IUPAC name is sodium;4-(2,5-dibromophenyl)benzoic acid;hydride.

Molecular Properties

Compound Namesodium;4-(2,5-dibromophenyl)benzoic acid;hydride
PubChem CID173086099
Molecular FormulaC13H9Br2NaO2
Molecular Weight380.01 g/mol
Exact Mass377.89
IUPAC Namesodium;4-(2,5-dibromophenyl)benzoic acid;hydride
SMILESO=C(O)c1ccc(-c2cc(Br)ccc2Br)cc1.[H-].[Na+]
InChIInChI=1S/C13H8Br2O2.Na.H/c14-10-5-6-12(15)11(7-10)8-1-3-9(4-2-8)13(16)17;;/h1-7H,(H,16,17);;/q;+1;-1
InChIKeyPGPZWMZSUCEBQS-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.01
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-2-fluorophenyl)benzoic acid
CID 54325449
4-(2,5-dibromophenyl)phenol
CID 86165332
1,4-dibromo-2-(4-methylphenyl)benzene
CID 18458568
4-bromobenzoic acid;copper
CID 67824318
4-(6-bromo-1,3-benzodioxol-5-yl)benzoic acid
CID 172909409
4-(6-bromo-2-oxochromen-3-yl)benzoic acid
CID 907410
4-bromo-3-(3-hydroxyphenyl)benzoic acid
CID 115053012
4-[2,5-dibromo-3,4,6-tris(4-carboxyphenyl)phenyl]benzoic acid
CID 101494786
sodium;hydride;4-phenylbenzoic acid
CID 173392993
3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 114375488
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
5-bromo-2-(4-bromophenyl)benzoic acid;hydrochloride
CID 138584228

Frequently Asked Questions

What is the IUPAC name of sodium;4-(2,5-dibromophenyl)benzoic acid;hydride?
The IUPAC name of sodium;4-(2,5-dibromophenyl)benzoic acid;hydride (CID 173086099) is sodium;4-(2,5-dibromophenyl)benzoic acid;hydride.
What is the SMILES notation for sodium;4-(2,5-dibromophenyl)benzoic acid;hydride?
The canonical SMILES for sodium;4-(2,5-dibromophenyl)benzoic acid;hydride is O=C(O)c1ccc(-c2cc(Br)ccc2Br)cc1.[H-].[Na+].
What is the InChIKey of sodium;4-(2,5-dibromophenyl)benzoic acid;hydride?
The InChIKey is PGPZWMZSUCEBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O2.Na.H/c14-10-5-6-12(15)11(7-10)8-1-3-9(4-2-8)13(16)17;;/h1-7H,(H,16,17);;/q;+1;-1.
What are the key properties of sodium;4-(2,5-dibromophenyl)benzoic acid;hydride?
sodium;4-(2,5-dibromophenyl)benzoic acid;hydride has a molecular weight of 380.01 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(2,5-dibromophenyl)benzoic acid;hydride is sourced from PubChem (CID 173086099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).