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75624-75-8 | Phosphonium,[(3-methyl-5-isoxazolyl)methyl]triphenyl-, chloride (1:1)
CAS No: 75624-75-8 Catalog No: AG005JHE MDL No:
Product Description
Catalog Number:
AG005JHE
Chemical Name:
Phosphonium,[(3-methyl-5-isoxazolyl)methyl]triphenyl-, chloride (1:1)
CAS Number:
75624-75-8
Molecular Formula:
C23H21ClNOP
Molecular Weight:
393.8457
IUPAC Name:
(3-methyl-1,2-oxazol-5-yl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C23H21NOP.ClH/c1-19-17-20(25-24-19)18-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-17H,18H2,1H3;1H/q+1;/p-1
InChI Key:
PBCNGBQKPKQWEQ-UHFFFAOYSA-M
SMILES:
Cc1noc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
EC Number:
278-268-5
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.851g/mol
Monoisotopic Mass:
393.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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