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Home > Nitro Compounds > 1417794-53-6
1417794-53-6 | Pyridine, 3-nitro-2-[(3-pyrrolidinylmethyl)thio]-, hydrochloride (1:1)
CAS No: 1417794-53-6 Catalog No: AG001H5W MDL No:MFCD22631736
Product Description
Catalog Number:
AG001H5W
Chemical Name:
Pyridine, 3-nitro-2-[(3-pyrrolidinylmethyl)thio]-, hydrochloride (1:1)
CAS Number:
1417794-53-6
Molecular Formula:
C10H14ClN3O2S
Molecular Weight:
275.7551
MDL Number:
MFCD22631736
IUPAC Name:
3-nitro-2-(pyrrolidin-3-ylmethylsulfanyl)pyridine;hydrochloride
InChI:
InChI=1S/C10H13N3O2S.ClH/c14-13(15)9-2-1-4-12-10(9)16-7-8-3-5-11-6-8;/h1-2,4,8,11H,3,5-7H2;1H
InChI Key:
BFPVDYJOFCMOTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1SCC1CNCC1.Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.751g/mol
Monoisotopic Mass:
275.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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