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Home > Nitro Compounds > 70415-86-0
70415-86-0 | 1-nitro-2-propan-2-ylsulfonylbenzene
CAS No: 70415-86-0 Catalog No: AG00IC26 MDL No:MFCD13689001
Product Description
Catalog Number:
AG00IC26
Chemical Name:
1-nitro-2-propan-2-ylsulfonylbenzene
CAS Number:
70415-86-0
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD13689001
IUPAC Name:
1-nitro-2-propan-2-ylsulfonylbenzene
InChI:
InChI=1S/C9H11NO4S/c1-7(2)15(13,14)9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3
InChI Key:
GBFWDLQEEMHXME-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)C(C)C
Properties
Complexity:
325
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:
1.8
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