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Home > Bromides > 1000578-07-3
1000578-07-3 | 1,5-Dibromo-2-fluoro-4-isothiocyanatobenzene
CAS No: 1000578-07-3 Catalog No: AG01EQJW MDL No:MFCD09878125
Product Description
Catalog Number:
AG01EQJW
Chemical Name:
1,5-Dibromo-2-fluoro-4-isothiocyanatobenzene
CAS Number:
1000578-07-3
Molecular Formula:
C7H2Br2FNS
Molecular Weight:
310.9689
MDL Number:
MFCD09878125
IUPAC Name:
1,5-dibromo-2-fluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Br2FNS/c8-4-1-5(9)7(11-3-12)2-6(4)10/h1-2H
InChI Key:
XHLIKYXVNNJXSR-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)c(cc1Br)Br
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.824g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.966g/mol
Monoisotopic Mass:
308.826g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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