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22228-95-1 | 2,6-Dibromo-3,4-dichlorophenyl isothiocyanate
CAS No: 22228-95-1 Catalog No: AG01EUJU MDL No:MFCD09878193
Product Description
Catalog Number:
AG01EUJU
Chemical Name:
2,6-Dibromo-3,4-dichlorophenyl isothiocyanate
CAS Number:
22228-95-1
Molecular Formula:
C7HBr2Cl2NS
Molecular Weight:
361.8685
MDL Number:
MFCD09878193
IUPAC Name:
1,3-dibromo-4,5-dichloro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7HBr2Cl2NS/c8-3-1-4(10)6(11)5(9)7(3)12-2-13/h1H
InChI Key:
IEJCKFQIYIVWON-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(c(c1Br)Cl)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.755g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.86g/mol
Monoisotopic Mass:
358.757g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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