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Home > Nitro Compounds > 1375472-33-5
1375472-33-5 | 1-methyl-4-nitro-2-(propane-1-sulfonyl)benzene
CAS No: 1375472-33-5 Catalog No: AG019TC7 MDL No:MFCD21602546
Product Description
Catalog Number:
AG019TC7
Chemical Name:
1-methyl-4-nitro-2-(propane-1-sulfonyl)benzene
CAS Number:
1375472-33-5
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD21602546
IUPAC Name:
1-methyl-4-nitro-2-propylsulfonylbenzene
InChI:
InChI=1S/C10H13NO4S/c1-3-6-16(14,15)10-7-9(11(12)13)5-4-8(10)2/h4-5,7H,3,6H2,1-2H3
InChI Key:
IAEKJJRSLHZVQE-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)c1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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