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1421620-33-8

1421620-33-8 | 3-Bromo-2-chloro-6-fluorobenzonitrile

CAS No: 1421620-33-8 Catalog No: AG01FD3X MDL No:

Product Description

Catalog Number:
AG01FD3X
Chemical Name:
3-Bromo-2-chloro-6-fluorobenzonitrile
CAS Number:
1421620-33-8
Molecular Formula:
C7H2BrClFN
Molecular Weight:
234.4529
IUPAC Name:
3-bromo-2-chloro-6-fluorobenzonitrile
InChI:
InChI=1S/C7H2BrClFN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H
InChI Key:
ODUWWKCYNUBYRT-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)ccc(c1Cl)Br

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.904g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.452g/mol
Monoisotopic Mass:
232.904g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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