Home Other Building Blocks 5-CHLORO-2,4-DIMETHOXYPHENYL ISOTHIOCYANATE

5-CHLORO-2,4-DIMETHOXYPHENYL ISOTHIOCYANATE

CAS No.:
40046-27-3
Catalog Number:
AG00C0LO
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C0LO
Chemical Name:
5-CHLORO-2,4-DIMETHOXYPHENYL ISOTHIOCYANATE
CAS Number:
40046-27-3
MDL Number:
MFCD00060373
IUPAC Name:
1-chloro-5-isothiocyanato-2,4-dimethoxybenzene
InChI:
InChI=1S/C9H8ClNO2S/c1-12-8-4-9(13-2)7(11-5-14)3-6(8)10/h3-4H,1-2H3
InChI Key:
BXJOFCAXBGIDIR-UHFFFAOYSA-N
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.678g/mol
Monoisotopic Mass:
228.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties