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162157-03-1

162157-03-1 | Ferrocene, [(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-

CAS No: 162157-03-1 Catalog No: AG001STK MDL No:

Product Description

Catalog Number:
AG001STK
Chemical Name:
Ferrocene, [(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-
CAS Number:
162157-03-1
Molecular Formula:
C16H19FeNO
Molecular Weight:
297.1732
IUPAC Name:
cyclopenta-1,3-diene;(4S)-2-cyclopenta-2,4-dien-1-ylidene-4-propan-2-yl-1,3-oxazolidin-3-ide;iron(2+)
InChI:
InChI=1S/C11H14NO.C5H5.Fe/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9;1-2-4-5-3-1;/h3-6,8,10H,7H2,1-2H3;1-5H;/q2*-1;+2/t10-;;/m1../s1
InChI Key:
MOTUFOCNRSDOMK-YQFADDPSSA-N
SMILES:
[CH-]1C=CC=C1.CC([C@H]1COC(=N1)[C-]1C=CC=C1)C.[Fe+2]

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
297.082g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.179g/mol
Monoisotopic Mass:
297.082g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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