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1000578-15-3 | 1,2-Dibromo-4-fluoro-5-isothiocyanatobenzene
CAS No: 1000578-15-3 Catalog No: AG01EQJX MDL No:MFCD09878130
Product Description
Catalog Number:
AG01EQJX
Chemical Name:
1,2-Dibromo-4-fluoro-5-isothiocyanatobenzene
CAS Number:
1000578-15-3
Molecular Formula:
C7H2Br2FNS
Molecular Weight:
310.9689
MDL Number:
MFCD09878130
IUPAC Name:
1,2-dibromo-4-fluoro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7H2Br2FNS/c8-4-1-6(10)7(11-3-12)2-5(4)9/h1-2H
InChI Key:
VYXXISRASKPENR-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(Br)c(cc1F)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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