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149338-19-2 | 2-Pyrrolidinone, 1-[3-[(5-chloro-2-nitrobenzo[b]thien-3-yl)amino]propyl]-
CAS No: 149338-19-2 Catalog No: AG001LLH MDL No:
Product Description
Catalog Number:
AG001LLH
Chemical Name:
2-Pyrrolidinone, 1-[3-[(5-chloro-2-nitrobenzo[b]thien-3-yl)amino]propyl]-
CAS Number:
149338-19-2
Molecular Formula:
C15H16ClN3O3S
Molecular Weight:
353.8238
IUPAC Name:
1-[3-[(5-chloro-2-nitro-1-benzothiophen-3-yl)amino]propyl]pyrrolidin-2-one
InChI:
InChI=1S/C15H16ClN3O3S/c16-10-4-5-12-11(9-10)14(15(23-12)19(21)22)17-6-2-8-18-7-1-3-13(18)20/h4-5,9,17H,1-3,6-8H2
InChI Key:
VHHSQHQAEVEFCF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(NCCCN1CCCC1=O)c(s2)[N+](=O)[O-]
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.06g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.821g/mol
Monoisotopic Mass:
353.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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