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Home > Nitro Compounds > 827044-42-8
827044-42-8 | Carbamothioic acid, dimethyl-, O-(2-methyl-3-nitrophenyl) ester
CAS No: 827044-42-8 Catalog No: AG004VUY MDL No:
Product Description
Catalog Number:
AG004VUY
Chemical Name:
Carbamothioic acid, dimethyl-, O-(2-methyl-3-nitrophenyl) ester
CAS Number:
827044-42-8
Molecular Formula:
C10H12N2O3S
Molecular Weight:
240.2789
IUPAC Name:
O-(2-methyl-3-nitrophenyl) N,N-dimethylcarbamothioate
InChI:
InChI=1S/C10H12N2O3S/c1-7-8(12(13)14)5-4-6-9(7)15-10(16)11(2)3/h4-6H,1-3H3
InChI Key:
MIJPFUCOSDYQPT-UHFFFAOYSA-N
SMILES:
CN(C(=S)Oc1cccc(c1C)[N+](=O)[O-])C
Properties
Complexity:
278
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:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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