Home Halogens 4-Bromo-2,3-dichlorophenyl isothiocyanate

4-Bromo-2,3-dichlorophenyl isothiocyanate

CAS No.:
1000574-11-7
Catalog Number:
AG01FBFQ
Molecular Formula:
C7H2BrCl2NS
Molecular Weight:
282.9725
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01FBFQ
Chemical Name:
4-Bromo-2,3-dichlorophenyl isothiocyanate
CAS Number:
1000574-11-7
Molecular Formula:
C7H2BrCl2NS
Molecular Weight:
282.9725
MDL Number:
MFCD09878190
IUPAC Name:
1-bromo-2,3-dichloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrCl2NS/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
InChI Key:
WBGAXNJGLJECIJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1Cl)Cl)Br
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.847g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.964g/mol
Monoisotopic Mass:
280.847g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Properties