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10230-76-9 | Benzene, 4-[(2,2-dichloroethyl)sulfonyl]-1-methoxy-2-nitro-
CAS No: 10230-76-9 Catalog No: AG00075H MDL No:
Product Description
Catalog Number:
AG00075H
Chemical Name:
Benzene, 4-[(2,2-dichloroethyl)sulfonyl]-1-methoxy-2-nitro-
CAS Number:
10230-76-9
Molecular Formula:
C9H9Cl2NO5S
Molecular Weight:
314.1425
IUPAC Name:
4-(2,2-dichloroethylsulfonyl)-1-methoxy-2-nitrobenzene
InChI:
InChI=1S/C9H9Cl2NO5S/c1-17-8-3-2-6(4-7(8)12(13)14)18(15,16)5-9(10)11/h2-4,9H,5H2,1H3
InChI Key:
MVFNAYBRMRRTTO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)CC(Cl)Cl
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.958g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.133g/mol
Monoisotopic Mass:
312.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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