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Home > Nitro Compounds > 2059988-02-0
2059988-02-0 | 1-[(3-nitrophenyl)imino]-1lambda6-thiolan-1-one
CAS No: 2059988-02-0 Catalog No: AG01BQZB MDL No:MFCD30502143
Product Description
Catalog Number:
AG01BQZB
Chemical Name:
1-[(3-nitrophenyl)imino]-1lambda6-thiolan-1-one
CAS Number:
2059988-02-0
Molecular Formula:
C10H12N2O3S
Molecular Weight:
240.2789
MDL Number:
MFCD30502143
IUPAC Name:
1-(3-nitrophenyl)iminothiolane 1-oxide
InChI:
InChI=1S/C10H12N2O3S/c13-12(14)10-5-3-4-9(8-10)11-16(15)6-1-2-7-16/h3-5,8H,1-2,6-7H2
InChI Key:
ULADWJAICPLCMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N=S1(=O)CCCC1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.277g/mol
Monoisotopic Mass:
240.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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