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Home > Nitro Compounds > 77867-13-1
77867-13-1 | 5-nitro-2-(prop-2-yn-1-ylsulfanyl)pyridine
CAS No: 77867-13-1 Catalog No: AG00ITLJ MDL No:MFCD09152764
Product Description
Catalog Number:
AG00ITLJ
Chemical Name:
5-nitro-2-(prop-2-yn-1-ylsulfanyl)pyridine
CAS Number:
77867-13-1
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD09152764
IUPAC Name:
5-nitro-2-prop-2-ynylsulfanylpyridine
InChI:
InChI=1S/C8H6N2O2S/c1-2-5-13-8-4-3-7(6-9-8)10(11)12/h1,3-4,6H,5H2
InChI Key:
NKFUQQMUNDFNHX-UHFFFAOYSA-N
SMILES:
C#CCSc1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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