Home Halogens 5-(bromomethyl)-2,4-difluorobenzonitrile

5-(bromomethyl)-2,4-difluorobenzonitrile

CAS No.:
1379361-23-5
Catalog Number:
AG01BTL8
Molecular Formula:
C8H4BrF2N
Molecular Weight:
232.0249
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Product Description
Catalog Number:
AG01BTL8
Chemical Name:
5-(bromomethyl)-2,4-difluorobenzonitrile
CAS Number:
1379361-23-5
Molecular Formula:
C8H4BrF2N
Molecular Weight:
232.0249
MDL Number:
MFCD30502098
IUPAC Name:
5-(bromomethyl)-2,4-difluorobenzonitrile
InChI:
InChI=1S/C8H4BrF2N/c9-3-5-1-6(4-12)8(11)2-7(5)10/h1-2H,3H2
InChI Key:
OBSGQNHKKXVLHC-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#N)c(cc1F)F
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.95g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.028g/mol
Monoisotopic Mass:
230.95g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties