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80984-92-5 | N-METHYL-N-PHENYL(CHLOROMETHYLENE)AMMONIUM PHOSPHOROCHLORIDATE
CAS No: 80984-92-5 Catalog No: AG0050HF MDL No:
Product Description
Catalog Number:
AG0050HF
Chemical Name:
N-METHYL-N-PHENYL(CHLOROMETHYLENE)AMMONIUM PHOSPHOROCHLORIDATE
CAS Number:
80984-92-5
Molecular Formula:
C16H18Cl3N2O3P
Molecular Weight:
423.6585
IUPAC Name:
chloro-dioxido-oxo-λ5-phosphane;chloromethylidene-methyl-phenylazanium
InChI:
InChI=1S/2C8H9ClN.ClH2O3P/c2*1-10(7-9)8-5-3-2-4-6-8;1-5(2,3)4/h2*2-7H,1H3;(H2,2,3,4)/q2*+1;/p-2
InChI Key:
GCILNXANELNGJI-UHFFFAOYSA-L
SMILES:
[O-]P(=O)(Cl)[O-].ClC=[N+](c1ccccc1)C.ClC=[N+](c1ccccc1)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.012g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.655g/mol
Monoisotopic Mass:
422.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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