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14596-50-0 | Benzene, 4-(isothiocyanatomethyl)-1,2-dimethoxy-
CAS No: 14596-50-0 Catalog No: AG001DK7 MDL No:MFCD00060409
Product Description
Catalog Number:
AG001DK7
Chemical Name:
Benzene, 4-(isothiocyanatomethyl)-1,2-dimethoxy-
CAS Number:
14596-50-0
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD00060409
IUPAC Name:
4-(isothiocyanatomethyl)-1,2-dimethoxybenzene
InChI:
InChI=1S/C10H11NO2S/c1-12-9-4-3-8(6-11-7-14)5-10(9)13-2/h3-5H,6H2,1-2H3
InChI Key:
MTKPIGBIMQONMN-UHFFFAOYSA-N
SMILES:
S=C=NCc1ccc(c(c1)OC)OC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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