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Home > Nitro Compounds > 19979-54-5
19979-54-5 | Quinoline, 5-nitro-6-(1-pyrrolidinyl)-
CAS No: 19979-54-5 Catalog No: AG002CBS MDL No:MFCD12026015
Product Description
Catalog Number:
AG002CBS
Chemical Name:
Quinoline, 5-nitro-6-(1-pyrrolidinyl)-
CAS Number:
19979-54-5
Molecular Formula:
C13H13N3O2
Molecular Weight:
243.2612
MDL Number:
MFCD12026015
IUPAC Name:
5-nitro-6-pyrrolidin-1-ylquinoline
InChI:
InChI=1S/C13H13N3O2/c17-16(18)13-10-4-3-7-14-11(10)5-6-12(13)15-8-1-2-9-15/h3-7H,1-2,8-9H2
InChI Key:
BZCNGMQREVCLIF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc2c1cccn2)N1CCCC1
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.101g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.266g/mol
Monoisotopic Mass:
243.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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