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Home > Bromides > 1779124-51-4
1779124-51-4 | 3-Chloro-2-fluoro-6-bromobenzonitrile
CAS No: 1779124-51-4 Catalog No: AG01FD8G MDL No:MFCD26958725
Product Description
Catalog Number:
AG01FD8G
Chemical Name:
3-Chloro-2-fluoro-6-bromobenzonitrile
CAS Number:
1779124-51-4
Molecular Formula:
C7H2BrClFN
Molecular Weight:
234.4529
MDL Number:
MFCD26958725
IUPAC Name:
6-bromo-3-chloro-2-fluorobenzonitrile
InChI:
InChI=1S/C7H2BrClFN/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H
InChI Key:
HBZBMSOXIOOFED-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)ccc(c1F)Cl
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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