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1186310-82-6 | 4-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-3-iodo-5-nitropyridine
CAS No: 1186310-82-6 Catalog No: AG00HENA MDL No:MFCD12922766
Product Description
Catalog Number:
AG00HENA
Chemical Name:
4-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-3-iodo-5-nitropyridine
CAS Number:
1186310-82-6
Molecular Formula:
C16H26IN3O3Si
Molecular Weight:
463.3859
MDL Number:
MFCD12922766
IUPAC Name:
tert-butyl-[[1-(3-iodo-5-nitropyridin-4-yl)pyrrolidin-3-yl]methoxy]-dimethylsilane
InChI:
InChI=1S/C16H26IN3O3Si/c1-16(2,3)24(4,5)23-11-12-6-7-19(10-12)15-13(17)8-18-9-14(15)20(21)22/h8-9,12H,6-7,10-11H2,1-5H3
InChI Key:
LDAXNEJQOMFZOT-UHFFFAOYSA-N
SMILES:
Ic1cncc(c1N1CCC(C1)CO[Si](C(C)(C)C)(C)C)[N+](=O)[O-]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.079g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.391g/mol
Monoisotopic Mass:
463.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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