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17857-14-6 | Phosphonium, (3-carboxypropyl)triphenyl-, bromide (1:1)
CAS No: 17857-14-6 Catalog No: AG00265V MDL No:MFCD00274196
Product Description
Catalog Number:
AG00265V
Chemical Name:
Phosphonium, (3-carboxypropyl)triphenyl-, bromide (1:1)
CAS Number:
17857-14-6
Molecular Formula:
C22H22BrO2P
Molecular Weight:
429.2866
MDL Number:
MFCD00274196
IUPAC Name:
3-carboxypropyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
InChI Key:
NKVJKVMGJABKHV-UHFFFAOYSA-N
SMILES:
OC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.054g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
429.294g/mol
Monoisotopic Mass:
428.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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