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Home > Nitro Compounds > 866050-50-2
866050-50-2 | 3-[(3-nitropyridin-2-yl)sulfanyl]-5,6-diphenyl-1,2,4-triazine
CAS No: 866050-50-2 Catalog No: AG00IV1S MDL No:MFCD04125872
Product Description
Catalog Number:
AG00IV1S
Chemical Name:
3-[(3-nitropyridin-2-yl)sulfanyl]-5,6-diphenyl-1,2,4-triazine
CAS Number:
866050-50-2
Molecular Formula:
C20H13N5O2S
Molecular Weight:
387.4145
MDL Number:
MFCD04125872
IUPAC Name:
3-(3-nitropyridin-2-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine
InChI:
InChI=1S/C20H13N5O2S/c26-25(27)16-12-7-13-21-19(16)28-20-22-17(14-8-3-1-4-9-14)18(23-24-20)15-10-5-2-6-11-15/h1-13H
InChI Key:
BWNJAGVIXDXVNI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1Sc1nnc(c(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.079g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.417g/mol
Monoisotopic Mass:
387.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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