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Home > Nitro Compounds > 1909326-11-9
1909326-11-9 | 2-{[(3-nitrophenyl)methyl]sulfanyl}acetamide
CAS No: 1909326-11-9 Catalog No: AG01C3JN MDL No:MFCD29762813
Product Description
Catalog Number:
AG01C3JN
Chemical Name:
2-{[(3-nitrophenyl)methyl]sulfanyl}acetamide
CAS Number:
1909326-11-9
Molecular Formula:
C9H10N2O3S
Molecular Weight:
226.2523
MDL Number:
MFCD29762813
IUPAC Name:
2-[(3-nitrophenyl)methylsulfanyl]acetamide
InChI:
InChI=1S/C9H10N2O3S/c10-9(12)6-15-5-7-2-1-3-8(4-7)11(13)14/h1-4H,5-6H2,(H2,10,12)
InChI Key:
MZODGTJYHPICLG-UHFFFAOYSA-N
SMILES:
NC(=O)CSCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.25g/mol
Monoisotopic Mass:
226.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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