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Home > Nitro Compounds > 156712-66-2
156712-66-2 | 2-PROPENETHIOAMIDE, 3-(3-NITROPHENYL)-, (2E)-
CAS No: 156712-66-2 Catalog No: AG001OX9 MDL No:
Product Description
Catalog Number:
AG001OX9
Chemical Name:
2-PROPENETHIOAMIDE, 3-(3-NITROPHENYL)-, (2E)-
CAS Number:
156712-66-2
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
3-(3-nitrophenyl)prop-2-enethioamide
InChI:
InChI=1S/C9H8N2O2S/c10-9(14)5-4-7-2-1-3-8(6-7)11(12)13/h1-6H,(H2,10,14)
InChI Key:
RUMNAKVKKSNMBQ-UHFFFAOYSA-N
SMILES:
NC(=S)/C=C/c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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