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191723-53-2 | Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)iodo-
CAS No: 191723-53-2 Catalog No: AG002FFN MDL No:MFCD00152116
Product Description
Catalog Number:
AG002FFN
Chemical Name:
Rhodium, [(1,2,5,6-η)-1,5-cyclooctadiene](1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)iodo-
CAS Number:
191723-53-2
Molecular Formula:
C18H21F3N2O5
Molecular Weight:
402.3649
MDL Number:
MFCD00152116
IUPAC Name:
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C16H20N2O3.C2HF3O2/c1-4-9(2)15(17)16(20)18-11-5-6-12-10(3)7-14(19)21-13(12)8-11;3-2(4,5)1(6)7/h5-9,15H,4,17H2,1-3H3,(H,18,20);(H,6,7)/t9-,15-;/m0./s1
InChI Key:
XPPJTDCCTDQORL-UXZWUECBSA-N
SMILES:
OC(=O)C(F)(F)F.CC[C@@H]([C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N)C
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
402.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
402.37g/mol
Monoisotopic Mass:
402.14g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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