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948294-44-8 | 2,4-Dibromo-6-methylphenyl isothiocyanate
CAS No: 948294-44-8 Catalog No: AG01EZKS MDL No:MFCD09841640
Product Description
Catalog Number:
AG01EZKS
Chemical Name:
2,4-Dibromo-6-methylphenyl isothiocyanate
CAS Number:
948294-44-8
Molecular Formula:
C8H5Br2NS
Molecular Weight:
307.0050
MDL Number:
MFCD09841640
IUPAC Name:
1,5-dibromo-2-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C8H5Br2NS/c1-5-2-6(9)3-7(10)8(5)11-4-12/h2-3H,1H3
InChI Key:
ZNKNKNUKAUEKDJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cc(cc1Br)Br
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.849g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.003g/mol
Monoisotopic Mass:
304.851g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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