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;
Molecular Weight
257.293g/mol
Molecular Formula
C16H18OP+;
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;
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
