200,000+ products from a single source!

sales@angenechem.com

Home > Bromides > 222978-03-2

222978-03-2

222978-03-2 | 4-(Bromomethyl)-2-fluorobenzonitrile

CAS No: 222978-03-2 Catalog No: AG00385U MDL No:MFCD03094323

Product Description

Catalog Number:
AG00385U
Chemical Name:
4-(Bromomethyl)-2-fluorobenzonitrile
CAS Number:
222978-03-2
Molecular Formula:
C8H5BrFN
Molecular Weight:
214.0344
MDL Number:
MFCD03094323
IUPAC Name:
4-(bromomethyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C8H5BrFN/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2
InChI Key:
DJOXAJDFHGJTAP-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)F)C#N

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.037g/mol
Monoisotopic Mass:
212.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

© 2019 Angene International Limited. All rights Reserved.