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114219-86-2 | 4H-1,4-Oxaphosphorinium, 4,4-dichloro-, chloride (9CI)
CAS No: 114219-86-2 Catalog No: AG000AUX MDL No:
Product Description
Catalog Number:
AG000AUX
Chemical Name:
4H-1,4-Oxaphosphorinium, 4,4-dichloro-, chloride (9CI)
CAS Number:
114219-86-2
Molecular Formula:
C4H5Cl3OP
Molecular Weight:
206.4147
IUPAC Name:
4,4-dichloro-3H-1,4-oxaphosphinine-1,4-diium;chloride
InChI:
InChI=1S/C4H5Cl2OP.ClH/c5-8(6)3-1-7-2-4-8;/h1-3H,4H2;1H/q+2;/p-1
InChI Key:
CESPQWKWDMBAPI-UHFFFAOYSA-M
SMILES:
ClP1(Cl)CC=[O+]C=C1.[Cl-]
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.914g/mol
Formal Charge:
1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.407g/mol
Monoisotopic Mass:
204.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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