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Home > Nitro Compounds > 89303-13-9
89303-13-9 | Benzene, 4-ethyl-1-nitro-2-[(phenylsulfonyl)methyl]-
CAS No: 89303-13-9 Catalog No: AG0040W1 MDL No:
Product Description
Catalog Number:
AG0040W1
Chemical Name:
Benzene, 4-ethyl-1-nitro-2-[(phenylsulfonyl)methyl]-
CAS Number:
89303-13-9
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
IUPAC Name:
2-(benzenesulfonylmethyl)-4-ethyl-1-nitrobenzene
InChI:
InChI=1S/C15H15NO4S/c1-2-12-8-9-15(16(17)18)13(10-12)11-21(19,20)14-6-4-3-5-7-14/h3-10H,2,11H2,1H3
InChI Key:
BOKKABHKWBEUHH-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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