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Home > Bromides > 1242339-25-8
1242339-25-8 | 4,5-Dibromo-2-(trifluoromethyl);benzonitrile
CAS No: 1242339-25-8 Catalog No: AG000LR0 MDL No:MFCD16817677
Product Description
Catalog Number:
AG000LR0
Chemical Name:
4,5-Dibromo-2-(trifluoromethyl);benzonitrile
CAS Number:
1242339-25-8
Molecular Formula:
C8H2Br2F3N
Molecular Weight:
328.9114
MDL Number:
MFCD16817677
IUPAC Name:
4,5-dibromo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H2Br2F3N/c9-6-1-4(3-14)5(2-7(6)10)8(11,12)13/h1-2H
InChI Key:
COCONGCGJVRAOO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(cc1C(F)(F)F)Br
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.849g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.914g/mol
Monoisotopic Mass:
326.851g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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