Home Halogens 2,4-Dibromophenyl isothiocyanate

2,4-Dibromophenyl isothiocyanate

CAS No.:
13037-63-3
Catalog Number:
AG01FEMW
Molecular Formula:
C7H3Br2NS
Molecular Weight:
292.9784
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Product Description
Catalog Number:
AG01FEMW
Chemical Name:
2,4-Dibromophenyl isothiocyanate
CAS Number:
13037-63-3
Molecular Formula:
C7H3Br2NS
Molecular Weight:
292.9784
MDL Number:
MFCD03093795
IUPAC Name:
2,4-dibromo-1-isothiocyanatobenzene
InChI:
InChI=1S/C7H3Br2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChI Key:
DWFDCXAPHKAJHH-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Br)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:
4.7  
Properties