Home Other Building Blocks 3-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE

3-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE

CAS No.:
710351-24-9
Catalog Number:
AG00FCLL
Molecular Formula:
C7H3BrFNS
Molecular Weight:
232.0728
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Product Description
Catalog Number:
AG00FCLL
Chemical Name:
3-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE
CAS Number:
710351-24-9
Molecular Formula:
C7H3BrFNS
Molecular Weight:
232.0728
MDL Number:
MFCD06657953
IUPAC Name:
2-bromo-1-fluoro-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H3BrFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H
InChI Key:
NBSZCFBECRGGJR-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)Br)F
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.915g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.07g/mol
Monoisotopic Mass:
230.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties