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896448-89-8 | Propanoyl isothiocyanate, 2-(2,4-dichlorophenoxy)-
CAS No: 896448-89-8 Catalog No: AG003VS2 MDL No:
Product Description
Catalog Number:
AG003VS2
Chemical Name:
Propanoyl isothiocyanate, 2-(2,4-dichlorophenoxy)-
CAS Number:
896448-89-8
Molecular Formula:
C10H7Cl2NO2S
Molecular Weight:
276.1391
IUPAC Name:
2-(2,4-dichlorophenoxy)propanoyl isothiocyanate
InChI:
InChI=1S/C10H7Cl2NO2S/c1-6(10(14)13-5-16)15-9-3-2-7(11)4-8(9)12/h2-4,6H,1H3
InChI Key:
CWQVVUTYUWNRDG-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)C(Oc1ccc(cc1Cl)Cl)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.957g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.131g/mol
Monoisotopic Mass:
274.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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