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116161-74-1 | 1,3-Dioxolan-2-amine, N-(phenylcarbonimidoyl)-2-(trichloromethyl)-
CAS No: 116161-74-1 Catalog No: AG000BSI MDL No:
Product Description
Catalog Number:
AG000BSI
Chemical Name:
1,3-Dioxolan-2-amine, N-(phenylcarbonimidoyl)-2-(trichloromethyl)-
CAS Number:
116161-74-1
Molecular Formula:
C11H11Cl3N2O2
Molecular Weight:
309.5762
IUPAC Name:
N'-[2-(trichloromethyl)-1,3-dioxolan-2-yl]benzenecarboximidamide
InChI:
InChI=1S/C11H11Cl3N2O2/c12-10(13,14)11(17-6-7-18-11)16-9(15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,15,16)
InChI Key:
YYRHEKKHKYWFCT-UHFFFAOYSA-N
SMILES:
N=C(c1ccccc1)NC1(OCCO1)C(Cl)(Cl)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.571g/mol
Monoisotopic Mass:
307.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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