Home Halogens 3,4-Dibromophenyl isothiocyanate

3,4-Dibromophenyl isothiocyanate

CAS No.:
98278-99-0
Catalog Number:
AG01F08L
Molecular Formula:
C7H3Br2NS
Molecular Weight:
292.9784
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Product Description
Catalog Number:
AG01F08L
Chemical Name:
3,4-Dibromophenyl isothiocyanate
CAS Number:
98278-99-0
Molecular Formula:
C7H3Br2NS
Molecular Weight:
292.9784
MDL Number:
MFCD09878104
IUPAC Name:
1,2-dibromo-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Br2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChI Key:
KEDOUGNCWCXGEC-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Br)Br
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.833g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.976g/mol
Monoisotopic Mass:
290.835g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties