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Home > Nitro Compounds > 74834-91-6
74834-91-6 | Formamide, N-[4-ethoxy-2-[(4-methyl-2-nitrophenyl)thio]-6-nitrophenyl]-
CAS No: 74834-91-6 Catalog No: AG005SI0 MDL No:
Product Description
Catalog Number:
AG005SI0
Chemical Name:
Formamide, N-[4-ethoxy-2-[(4-methyl-2-nitrophenyl)thio]-6-nitrophenyl]-
CAS Number:
74834-91-6
Molecular Formula:
C16H15N3O6S
Molecular Weight:
377.3718
IUPAC Name:
N-[4-ethoxy-2-(4-methyl-2-nitrophenyl)sulfanyl-6-nitrophenyl]formamide
InChI:
InChI=1S/C16H15N3O6S/c1-3-25-11-7-13(19(23)24)16(17-9-20)15(8-11)26-14-5-4-10(2)6-12(14)18(21)22/h4-9H,3H2,1-2H3,(H,17,20)
InChI Key:
HDQNOGZPTJFTPK-UHFFFAOYSA-N
SMILES:
CCOc1cc(Sc2ccc(cc2[N+](=O)[O-])C)c(c(c1)[N+](=O)[O-])NC=O
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.068g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.371g/mol
Monoisotopic Mass:
377.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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