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886501-19-5 | 4-Bromo-5-chloro-2-methylphenylisothiocyanate
CAS No: 886501-19-5 Catalog No: AG01EYEM MDL No:MFCD07782185
Product Description
Catalog Number:
AG01EYEM
Chemical Name:
4-Bromo-5-chloro-2-methylphenylisothiocyanate
CAS Number:
886501-19-5
Molecular Formula:
C8H5BrClNS
Molecular Weight:
262.5540
MDL Number:
MFCD07782185
IUPAC Name:
1-bromo-2-chloro-4-isothiocyanato-5-methylbenzene
InChI:
InChI=1S/C8H5BrClNS/c1-5-2-6(9)7(10)3-8(5)11-4-12/h2-3H,1H3
InChI Key:
KWMYSOAUHVIFPE-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Cl)c(cc1C)Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.901g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.549g/mol
Monoisotopic Mass:
260.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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