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Home > Nitro Compounds > 648957-15-7
648957-15-7 | Benzene, 1,4-dimethoxy-2-[(2-methyl-2-propenyl)thio]-5-(2-nitroethenyl)-
CAS No: 648957-15-7 Catalog No: AG00H8VD MDL No:
Product Description
Catalog Number:
AG00H8VD
Chemical Name:
Benzene, 1,4-dimethoxy-2-[(2-methyl-2-propenyl)thio]-5-(2-nitroethenyl)-
CAS Number:
648957-15-7
Molecular Formula:
C14H17NO4S
Molecular Weight:
295.3541
IUPAC Name:
1,4-dimethoxy-2-(2-methylprop-2-enylsulfanyl)-5-(2-nitroethenyl)benzene
InChI:
InChI=1S/C14H17NO4S/c1-10(2)9-20-14-8-12(18-3)11(5-6-15(16)17)7-13(14)19-4/h5-8H,1,9H2,2-4H3
InChI Key:
PYECFBXZEWOROQ-UHFFFAOYSA-N
SMILES:
COc1cc(C=C[N+](=O)[O-])c(cc1SCC(=C)C)OC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.353g/mol
Monoisotopic Mass:
295.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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