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Home > Nitro Compounds > 138695-84-8
138695-84-8 | 1-Propanone, 3-[(2-ethoxyethyl)sulfonyl]-1-(4-nitrophenyl)-
CAS No: 138695-84-8 Catalog No: AG00190T MDL No:
Product Description
Catalog Number:
AG00190T
Chemical Name:
1-Propanone, 3-[(2-ethoxyethyl)sulfonyl]-1-(4-nitrophenyl)-
CAS Number:
138695-84-8
Molecular Formula:
C13H17NO6S
Molecular Weight:
315.3422
IUPAC Name:
3-(2-ethoxyethylsulfonyl)-1-(4-nitrophenyl)propan-1-one
InChI:
InChI=1S/C13H17NO6S/c1-2-20-8-10-21(18,19)9-7-13(15)11-3-5-12(6-4-11)14(16)17/h3-6H,2,7-10H2,1H3
InChI Key:
XZVMYRWBROGZHA-UHFFFAOYSA-N
SMILES:
CCOCCS(=O)(=O)CCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.34g/mol
Monoisotopic Mass:
315.078g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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