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Home > Nitro Compounds > 89250-05-5
89250-05-5 | Pyrrolidine, 1-[[5-(3-nitrophenyl)-2-thienyl]methyl]-
CAS No: 89250-05-5 Catalog No: AG00425P MDL No:
Product Description
Catalog Number:
AG00425P
Chemical Name:
Pyrrolidine, 1-[[5-(3-nitrophenyl)-2-thienyl]methyl]-
CAS Number:
89250-05-5
Molecular Formula:
C15H16N2O2S
Molecular Weight:
288.3647
IUPAC Name:
1-[[5-(3-nitrophenyl)thiophen-2-yl]methyl]pyrrolidine
InChI:
InChI=1S/C15H16N2O2S/c18-17(19)13-5-3-4-12(10-13)15-7-6-14(20-15)11-16-8-1-2-9-16/h3-7,10H,1-2,8-9,11H2
InChI Key:
KOSGUNXWJDWBKA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccc(s1)CN1CCCC1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.365g/mol
Monoisotopic Mass:
288.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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