Home Halogens 2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropanenitrile

2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropanenitrile

CAS No.:
1283707-34-5
Catalog Number:
AG01C15F
Molecular Formula:
C10H9BrFNO
Molecular Weight:
258.0870
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Product Description
Catalog Number:
AG01C15F
Chemical Name:
2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropanenitrile
CAS Number:
1283707-34-5
Molecular Formula:
C10H9BrFNO
Molecular Weight:
258.0870
MDL Number:
MFCD18294358
IUPAC Name:
2-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxypropanenitrile
InChI:
InChI=1S/C10H9BrFNO/c11-9-1-2-10(12)8(4-9)3-7(5-13)6-14/h1-2,4,7,14H,3,6H2
InChI Key:
DNMHSYYYITXCBB-UHFFFAOYSA-N
SMILES:
OCC(C#N)Cc1cc(Br)ccc1F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.09g/mol
Monoisotopic Mass:
256.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties