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Home > Bromides > 1000577-92-3
1000577-92-3 | 2-Bromo-1,3-difluoro-5-isothiocyanatobenzene
CAS No: 1000577-92-3 Catalog No: AG01F3BK MDL No:MFCD09878121
Product Description
Catalog Number:
AG01F3BK
Chemical Name:
2-Bromo-1,3-difluoro-5-isothiocyanatobenzene
CAS Number:
1000577-92-3
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
MDL Number:
MFCD09878121
IUPAC Name:
2-bromo-1,3-difluoro-5-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrF2NS/c8-7-5(9)1-4(11-3-12)2-6(7)10/h1-2H
InChI Key:
UQVJUTRQHOWKSK-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)c(c(c1)F)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.906g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.061g/mol
Monoisotopic Mass:
248.906g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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