Home Halogens 1-chloro-2-isothiocyanato-4-methoxybenzene

1-chloro-2-isothiocyanato-4-methoxybenzene

CAS No.:
82401-36-3
Catalog Number:
AG01AKR2
Molecular Formula:
C8H6ClNOS
Molecular Weight:
199.6573
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Product Description
Catalog Number:
AG01AKR2
Chemical Name:
1-chloro-2-isothiocyanato-4-methoxybenzene
CAS Number:
82401-36-3
Molecular Formula:
C8H6ClNOS
Molecular Weight:
199.6573
MDL Number:
MFCD04221638
IUPAC Name:
1-chloro-2-isothiocyanato-4-methoxybenzene
InChI:
InChI=1S/C8H6ClNOS/c1-11-6-2-3-7(9)8(4-6)10-5-12/h2-4H,1H3
InChI Key:
MNWRATYCNLOFSR-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(OC)ccc1Cl
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.986g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.652g/mol
Monoisotopic Mass:
198.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties