Home Halogens 2-bromo-1-fluoro-3-isothiocyanatobenzene

2-bromo-1-fluoro-3-isothiocyanatobenzene

CAS No.:
364364-00-1
Catalog Number:
AG01DWDM
Molecular Formula:
C7H3BrFNS
Molecular Weight:
232.0728
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Product Description
Catalog Number:
AG01DWDM
Chemical Name:
2-bromo-1-fluoro-3-isothiocyanatobenzene
CAS Number:
364364-00-1
Molecular Formula:
C7H3BrFNS
Molecular Weight:
232.0728
MDL Number:
MFCD22557657
IUPAC Name:
2-bromo-1-fluoro-3-isothiocyanatobenzene
InChI:
InChI=1S/C7H3BrFNS/c8-7-5(9)2-1-3-6(7)10-4-11/h1-3H
InChI Key:
BIANPLKOXXZKJV-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Br)N=C=S
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