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Home > Bromides > 1000574-41-3
1000574-41-3 | 2,4-Dibromo-3,5-dichlorophenyl isothiocyanate
CAS No: 1000574-41-3 Catalog No: AG01FA78 MDL No:MFCD09878199
Product Description
Catalog Number:
AG01FA78
Chemical Name:
2,4-Dibromo-3,5-dichlorophenyl isothiocyanate
CAS Number:
1000574-41-3
Molecular Formula:
C7HBr2Cl2NS
Molecular Weight:
361.8685
MDL Number:
MFCD09878199
IUPAC Name:
2,4-dibromo-1,3-dichloro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7HBr2Cl2NS/c8-5-3(10)1-4(12-2-13)6(9)7(5)11/h1H
InChI Key:
LNPZFDJMNGIBOS-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Cl)c(c(c1Br)Cl)Br
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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