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Home > Nitro Compounds > 70951-74-5
70951-74-5 | Benzene, 1-[1-methyl-1-(phenylsulfonyl)ethyl]-4-nitro-
CAS No: 70951-74-5 Catalog No: AG005FKL MDL No:
Product Description
Catalog Number:
AG005FKL
Chemical Name:
Benzene, 1-[1-methyl-1-(phenylsulfonyl)ethyl]-4-nitro-
CAS Number:
70951-74-5
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
IUPAC Name:
1-[2-(benzenesulfonyl)propan-2-yl]-4-nitrobenzene
InChI:
InChI=1S/C15H15NO4S/c1-15(2,12-8-10-13(11-9-12)16(17)18)21(19,20)14-6-4-3-5-7-14/h3-11H,1-2H3
InChI Key:
BPNSEQLDWOOJRQ-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1ccccc1)(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
461
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:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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