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Home > Bromides > 1000572-48-4
1000572-48-4 | 1,3-Dibromo-4-chloro-5-fluoro-2-isothiocyanatobenzene
CAS No: 1000572-48-4 Catalog No: AG01EQIR MDL No:MFCD09878153
Product Description
Catalog Number:
AG01EQIR
Chemical Name:
1,3-Dibromo-4-chloro-5-fluoro-2-isothiocyanatobenzene
CAS Number:
1000572-48-4
Molecular Formula:
C7HBr2ClFNS
Molecular Weight:
345.4139
MDL Number:
MFCD09878153
IUPAC Name:
1,3-dibromo-4-chloro-5-fluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7HBr2ClFNS/c8-3-1-4(11)6(10)5(9)7(3)12-2-13/h1H
InChI Key:
WODLHJNDLHEDQP-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(c(c1Br)Cl)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.785g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.408g/mol
Monoisotopic Mass:
342.787g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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