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

4-CHLORO-2,5-DIMETHOXYPHENYL ISOTHIOCYANATE

CAS No.:
306935-82-0
Catalog Number:
AG00BE2M
Molecular Formula:
C9H8ClNO2S
Molecular Weight:
229.6833
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Product Description
Catalog Number:
AG00BE2M
Chemical Name:
4-CHLORO-2,5-DIMETHOXYPHENYL ISOTHIOCYANATE
CAS Number:
306935-82-0
Molecular Formula:
C9H8ClNO2S
Molecular Weight:
229.6833
MDL Number:
MFCD00046809
IUPAC Name:
1-chloro-4-isothiocyanato-2,5-dimethoxybenzene
InChI:
InChI=1S/C9H8ClNO2S/c1-12-8-4-7(11-5-14)9(13-2)3-6(8)10/h3-4H,1-2H3
InChI Key:
BQNKXQJYPPPUCN-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(OC)c(cc1OC)Cl
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