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Home > Nitro Compounds > 832103-02-3
832103-02-3 | 3-Pyrrolidinol, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-, (3R)-
CAS No: 832103-02-3 Catalog No: AG0058NN MDL No:
Product Description
Catalog Number:
AG0058NN
Chemical Name:
3-Pyrrolidinol, 1-[(5-nitrobenzo[b]thien-2-yl)carbonyl]-, (3R)-
CAS Number:
832103-02-3
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
IUPAC Name:
[(3R)-3-hydroxypyrrolidin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone
InChI:
InChI=1S/C13H12N2O4S/c16-10-3-4-14(7-10)13(17)12-6-8-5-9(15(18)19)1-2-11(8)20-12/h1-2,5-6,10,16H,3-4,7H2/t10-/m1/s1
InChI Key:
IOADKSJEOBWNKJ-SNVBAGLBSA-N
SMILES:
O[C@@H]1CCN(C1)C(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.309g/mol
Monoisotopic Mass:
292.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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