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Home > Nitro Compounds > 99970-59-9
99970-59-9 | Formamide, N-[2-[(3-nitro-4-pyridinyl)thio]phenyl]-
CAS No: 99970-59-9 Catalog No: AG003VOA MDL No:
Product Description
Catalog Number:
AG003VOA
Chemical Name:
Formamide, N-[2-[(3-nitro-4-pyridinyl)thio]phenyl]-
CAS Number:
99970-59-9
Molecular Formula:
C12H9N3O3S
Molecular Weight:
275.2832
IUPAC Name:
N-[2-(3-nitropyridin-4-yl)sulfanylphenyl]formamide
InChI:
InChI=1S/C12H9N3O3S/c16-8-14-9-3-1-2-4-11(9)19-12-5-6-13-7-10(12)15(17)18/h1-8H,(H,14,16)
InChI Key:
WUFYDQWIWHOYEF-UHFFFAOYSA-N
SMILES:
O=CNc1ccccc1Sc1ccncc1[N+](=O)[O-]
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.282g/mol
Monoisotopic Mass:
275.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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