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75132-82-0 | 1,3,5,2,4,6-Triazatriphosphorine,2-butyl-2,4,4,6,6-pentachloro-2,2,4,4,6,6-hexahydro- (9CI)
CAS No: 75132-82-0 Catalog No: AG005E3E MDL No:
Product Description
Catalog Number:
AG005E3E
Chemical Name:
1,3,5,2,4,6-Triazatriphosphorine,2-butyl-2,4,4,6,6-pentachloro-2,2,4,4,6,6-hexahydro- (9CI)
CAS Number:
75132-82-0
Molecular Formula:
C4H9Cl5N3P3
Molecular Weight:
369.3206
IUPAC Name:
1-butyl-2,2,4,5,6-pentachloro-1,3,5-triaza-2λ5,4,6-triphosphacyclohex-2-ene
InChI:
InChI=1S/C4H9Cl5N3P3/c1-2-3-4-11-14(7)12(5)13(6)10-15(11,8)9/h2-4H2,1H3
InChI Key:
XRPVANDFEOOFHA-UHFFFAOYSA-N
SMILES:
CCCCN1P(Cl)N(Cl)P(N=P1(Cl)Cl)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.842g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.308g/mol
Monoisotopic Mass:
366.845g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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