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1766-62-7 | Benzamide, N-[bis(1-aziridinyl)phosphinyl]-4-(trifluoromethyl)-
CAS No: 1766-62-7 Catalog No: AG0024RW MDL No:
Product Description
Catalog Number:
AG0024RW
Chemical Name:
Benzamide, N-[bis(1-aziridinyl)phosphinyl]-4-(trifluoromethyl)-
CAS Number:
1766-62-7
Molecular Formula:
C12H13F3N3O2P
Molecular Weight:
319.2195
IUPAC Name:
N-[bis(aziridin-1-yl)phosphoryl]-4-(trifluoromethyl)benzamide
InChI:
InChI=1S/C12H13F3N3O2P/c13-12(14,15)10-3-1-9(2-4-10)11(19)16-21(20,17-5-6-17)18-7-8-18/h1-4H,5-8H2,(H,16,19,20)
InChI Key:
XUEXERYPJFMZOH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(F)(F)F)NP(=O)(N1CC1)N1CC1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.224g/mol
Monoisotopic Mass:
319.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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