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Home > Nitro Compounds > 86434-27-7
86434-27-7 | Benzene, 2-methoxy-4-nitro-1-[(phenylsulfonyl)methyl]-
CAS No: 86434-27-7 Catalog No: AG004N0K MDL No:
Product Description
Catalog Number:
AG004N0K
Chemical Name:
Benzene, 2-methoxy-4-nitro-1-[(phenylsulfonyl)methyl]-
CAS Number:
86434-27-7
Molecular Formula:
C14H13NO5S
Molecular Weight:
307.3217
IUPAC Name:
1-(benzenesulfonylmethyl)-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C14H13NO5S/c1-20-14-9-12(15(16)17)8-7-11(14)10-21(18,19)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChI Key:
OCCKNSKZUHMSRY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1CS(=O)(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.051g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.32g/mol
Monoisotopic Mass:
307.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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