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263389-54-4 | Benzene, 1-[[isocyano(4-methoxyphenyl)methyl]sulfonyl]-4-methyl-
CAS No: 263389-54-4 Catalog No: AG002ST6 MDL No:MFCD04114785
Product Description
Catalog Number:
AG002ST6
Chemical Name:
Benzene, 1-[[isocyano(4-methoxyphenyl)methyl]sulfonyl]-4-methyl-
CAS Number:
263389-54-4
Molecular Formula:
C16H15NO3S
Molecular Weight:
301.3602
MDL Number:
MFCD04114785
IUPAC Name:
1-[isocyano-(4-methoxyphenyl)methyl]sulfonyl-4-methylbenzene
InChI:
InChI=1S/C16H15NO3S/c1-12-4-10-15(11-5-12)21(18,19)16(17-2)13-6-8-14(20-3)9-7-13/h4-11,16H,1,3H3
InChI Key:
QIJRGVGFTZWYNF-UHFFFAOYSA-N
SMILES:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)OC
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.077g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.36g/mol
Monoisotopic Mass:
301.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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