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Home > Bromides > 1000571-58-3
1000571-58-3 | 2-Bromo-4-chloro-6-methylphenylisothiocyanate
CAS No: 1000571-58-3 Catalog No: AG01F2YR MDL No:MFCD09800833
Product Description
Catalog Number:
AG01F2YR
Chemical Name:
2-Bromo-4-chloro-6-methylphenylisothiocyanate
CAS Number:
1000571-58-3
Molecular Formula:
C8H5BrClNS
Molecular Weight:
262.5540
MDL Number:
MFCD09800833
IUPAC Name:
1-bromo-5-chloro-2-isothiocyanato-3-methylbenzene
InChI:
InChI=1S/C8H5BrClNS/c1-5-2-6(10)3-7(9)8(5)11-4-12/h2-3H,1H3
InChI Key:
IUYSWGWHPUQPTB-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(C)cc(cc1Br)Cl
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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