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Home > Bromides > 1229444-44-3
1229444-44-3 | Pyrrolidinium, 1-[[4-(diphenylphosphino)phenyl]methyl]-1-methyl-, bromide (1:1)
CAS No: 1229444-44-3 Catalog No: AG000JSV MDL No:MFCD16295188
Product Description
Catalog Number:
AG000JSV
Chemical Name:
Pyrrolidinium, 1-[[4-(diphenylphosphino)phenyl]methyl]-1-methyl-, bromide (1:1)
CAS Number:
1229444-44-3
Molecular Formula:
C24H27BrNP
Molecular Weight:
440.3556
MDL Number:
MFCD16295188
IUPAC Name:
[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]-diphenylphosphane;bromide
InChI:
InChI=1S/C24H27NP.BrH/c1-25(18-8-9-19-25)20-21-14-16-24(17-15-21)26(22-10-4-2-5-11-22)23-12-6-3-7-13-23;/h2-7,10-17H,8-9,18-20H2,1H3;1H/q+1;/p-1
InChI Key:
JKJSVXHLMBCNPA-UHFFFAOYSA-M
SMILES:
C[N+]1(CCCC1)Cc1ccc(cc1)P(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.365g/mol
Monoisotopic Mass:
439.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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