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132992-53-1 | Benzene, 2-methoxy-1-nitro-4-(propylthio)-
CAS No: 132992-53-1 Catalog No: AG0011GP MDL No:
Product Description
Catalog Number:
AG0011GP
Chemical Name:
Benzene, 2-methoxy-1-nitro-4-(propylthio)-
CAS Number:
132992-53-1
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
2-methoxy-1-nitro-4-propylsulfanylbenzene
InChI:
InChI=1S/C10H13NO3S/c1-3-6-15-8-4-5-9(11(12)13)10(7-8)14-2/h4-5,7H,3,6H2,1-2H3
InChI Key:
RDNPAMSBWBLIRF-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(c(c1)OC)[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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