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12116-89-1 | Amino-ferrocene x HCl
CAS No: 12116-89-1 Catalog No: AG01FFKK MDL No:
Product Description
Catalog Number:
AG01FFKK
Chemical Name:
Amino-ferrocene x HCl
CAS Number:
12116-89-1
Molecular Formula:
C10H12ClFeN
Molecular Weight:
237.5070
InChI:
InChI=1S/C5H6N.C5H5.ClH.Fe/c6-5-3-1-2-4-5;1-2-4-5-3-1;;/h1-4H,6H2;1-5H;1H;/q-1;-5;;
InChI Key:
KPRNMLROGBKGGU-UHFFFAOYSA-N
SMILES:
NC12C3[Fe]4567892(C1C5C34)C1C8C7C6C91.Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.001g/mol
Formal Charge:
-6
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.508g/mol
Monoisotopic Mass:
237.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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