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1000578-01-7 | 1,3-Dibromo-5-fluoro-2-isothiocyanatobenzene
CAS No: 1000578-01-7 Catalog No: AG01EQJV MDL No:MFCD00123932
Product Description
Catalog Number:
AG01EQJV
Chemical Name:
1,3-Dibromo-5-fluoro-2-isothiocyanatobenzene
CAS Number:
1000578-01-7
Molecular Formula:
C7H2Br2FNS
Molecular Weight:
310.9689
MDL Number:
MFCD00123932
IUPAC Name:
1,3-dibromo-5-fluoro-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Br2FNS/c8-5-1-4(10)2-6(9)7(5)11-3-12/h1-2H
InChI Key:
HFDLRDHWGQFRAR-UHFFFAOYSA-N
SMILES:
S=C=Nc1c(Br)cc(cc1Br)F
Properties
Complexity:
196
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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