Home Halogens 2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile

2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile

CAS No.:
1155087-12-9
Catalog Number:
AG01AP6U
Molecular Formula:
C8H5BrFNO
Molecular Weight:
230.0338
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Product Description
Catalog Number:
AG01AP6U
Chemical Name:
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile
CAS Number:
1155087-12-9
Molecular Formula:
C8H5BrFNO
Molecular Weight:
230.0338
MDL Number:
MFCD12169297
IUPAC Name:
2-(4-bromo-2-fluorophenyl)-2-hydroxyacetonitrile
InChI:
InChI=1S/C8H5BrFNO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H
InChI Key:
KIHZCXGBIKZKML-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1F)Br)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.036g/mol
Monoisotopic Mass:
228.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties