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207857-19-0 | Carbamic acid, N,N'-[[(trifluoromethyl)sulfonyl]carbonimidoyl]bis-, C,C'-bis(phenylmethyl) ester
CAS No: 207857-19-0 Catalog No: AG002JBU MDL No:
Product Description
Catalog Number:
AG002JBU
Chemical Name:
Carbamic acid, N,N'-[[(trifluoromethyl)sulfonyl]carbonimidoyl]bis-, C,C'-bis(phenylmethyl) ester
CAS Number:
207857-19-0
IUPAC Name:
benzyl N-[N-phenylmethoxycarbonyl-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate
InChI:
InChI=1S/C18H16F3N3O6S/c19-18(20,21)31(27,28)24-15(22-16(25)29-11-13-7-3-1-4-8-13)23-17(26)30-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,22,23,24,25,26)
InChI Key:
GLZHTZVKRCUQRB-UHFFFAOYSA-N
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.071g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.396g/mol
Monoisotopic Mass:
459.071g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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