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Home > Nitro Compounds > 85896-13-5
85896-13-5 | 1,4-dimethoxy-2-[(4-methylphenyl)sulfanyl]-5-nitrobenzene
CAS No: 85896-13-5 Catalog No: AG00JGW7 MDL No:MFCD00071605
Product Description
Catalog Number:
AG00JGW7
Chemical Name:
1,4-dimethoxy-2-[(4-methylphenyl)sulfanyl]-5-nitrobenzene
CAS Number:
85896-13-5
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD00071605
IUPAC Name:
1,4-dimethoxy-2-(4-methylphenyl)sulfanyl-5-nitrobenzene
InChI:
InChI=1S/C15H15NO4S/c1-10-4-6-11(7-5-10)21-15-9-13(19-2)12(16(17)18)8-14(15)20-3/h4-9H,1-3H3
InChI Key:
PDJISJMRQRYBGA-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1Sc1ccc(cc1)C)OC
EC Number:
288-791-0
Properties
Complexity:
341
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:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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