Structure

Bis(3,5-dimethylphenyl)phosphine oxide

CAS
187344-92-9
Catalog Number
ACM187344929
Category
Organic Phosphine Compounds
Molecular Weight
257.293g/mol
Molecular Formula
C16H18OP+;

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Specification

Synonyms
3-(4-Nitrophenyl)-beta-alanine; 9774AA; ANW-41891; AK-49521; KSC496C0H; Phosphine oxide, bis(3,5-dimethylphenyl)-; AWAYSUMOANJULO-UHFFFAOYSA-N; SC-73189; 187344-92-9; DT1316;
IUPAC Name
bis(3,5-dimethylphenyl)-oxophosphanium;
Canonical SMILES
CC1=CC(=CC(=C1)[P+](=O)C2=CC(=CC(=C2)C)C)C;
InChI
InChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1;
InChI Key
LMXRTXPFJNGAAX-UHFFFAOYSA-N;
Application
suzuki reaction
Complexity
254
Covalently-Bonded Unit Count
1
Exact Mass
257.11g/mol
Formal Charge
1
H-Bond Acceptor
1
Heavy Atom Count
18
Monoisotopic Mass
257.11g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
17.1A^2
What is the molecular formula of Bis(3,5-dimethylphenyl)phosphine oxide?

The molecular formula of Bis(3,5-dimethylphenyl)phosphine oxide is C16H18OP.

What is the molecular weight of Bis(3,5-dimethylphenyl)phosphine oxide?

The molecular weight of Bis(3,5-dimethylphenyl)phosphine oxide is 257.29 g/mol.

What is the IUPAC name of Bis(3,5-dimethylphenyl)phosphine oxide?

The IUPAC name of Bis(3,5-dimethylphenyl)phosphine oxide is bis(3,5-dimethylphenyl)-oxophosphanium.

What is the InChIKey of Bis(3,5-dimethylphenyl)phosphine oxide?

The InChIKey of Bis(3,5-dimethylphenyl)phosphine oxide is LMXRTXPFJNGAAX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Bis(3,5-dimethylphenyl)phosphine oxide have?

Bis(3,5-dimethylphenyl)phosphine oxide has 0 hydrogen bond donor counts.

What is the topological polar surface area of Bis(3,5-dimethylphenyl)phosphine oxide?

The topological polar surface area of Bis(3,5-dimethylphenyl)phosphine oxide is 17.1Ų.

Is the compound is canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of Bis(3,5-dimethylphenyl)phosphine oxide?

The XLogP3-AA value of Bis(3,5-dimethylphenyl)phosphine oxide is 3.9.

How many rotatable bond counts does Bis(3,5-dimethylphenyl)phosphine oxide have?

Bis(3,5-dimethylphenyl)phosphine oxide has 2 rotatable bond counts.

What is the formal charge of Bis(3,5-dimethylphenyl)phosphine oxide?

The formal charge of Bis(3,5-dimethylphenyl)phosphine oxide is 1.

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