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Home > Bromides > 1000574-17-3
1000574-17-3 | 1,5-Dibromo-2,3-dichloro-4-isothiocyanatobenzene
CAS No: 1000574-17-3 Catalog No: AG01EQJ7 MDL No:MFCD09878191
Product Description
Catalog Number:
AG01EQJ7
Chemical Name:
1,5-Dibromo-2,3-dichloro-4-isothiocyanatobenzene
CAS Number:
1000574-17-3
Molecular Formula:
C7HBr2Cl2NS
Molecular Weight:
361.8685
MDL Number:
MFCD09878191
IUPAC Name:
1,5-dibromo-2,3-dichloro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7HBr2Cl2NS/c8-3-1-4(9)7(12-2-13)6(11)5(3)10/h1H
InChI Key:
QLUFBDKCGIVUFC-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(c(c1Cl)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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