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Home > Nitro Compounds > 7205-84-7
7205-84-7 | Benzene, 1-[(1-methylethyl)sulfonyl]-4-nitro-
CAS No: 7205-84-7 Catalog No: AG005NMP MDL No:
Product Description
Catalog Number:
AG005NMP
Chemical Name:
Benzene, 1-[(1-methylethyl)sulfonyl]-4-nitro-
CAS Number:
7205-84-7
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
IUPAC Name:
1-nitro-4-propan-2-ylsulfonylbenzene
InChI:
InChI=1S/C9H11NO4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3
InChI Key:
KVSMDNHFSHTGMP-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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