Home Halogens 1-bromo-2,5-difluoro-4-isothiocyanatobenzene

1-bromo-2,5-difluoro-4-isothiocyanatobenzene

CAS No.:
1000577-80-9
Catalog Number:
AG00KKY4
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
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Product Description
Catalog Number:
AG00KKY4
Chemical Name:
1-bromo-2,5-difluoro-4-isothiocyanatobenzene
CAS Number:
1000577-80-9
Molecular Formula:
C7H2BrF2NS
Molecular Weight:
250.0633
MDL Number:
MFCD09878115
IUPAC Name:
1-bromo-2,5-difluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H2BrF2NS/c8-4-1-6(10)7(11-3-12)2-5(4)9/h1-2H
InChI Key:
DZCHDQYIMUERSQ-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(F)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:
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  
Properties