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Home > Bromides > 1208076-73-6
1208076-73-6 | 5-Bromo-4-iodo-2-(trifluoromethyl)benzonitrile
CAS No: 1208076-73-6 Catalog No: AG01FA03 MDL No:MFCD12026305
Product Description
Catalog Number:
AG01FA03
Chemical Name:
5-Bromo-4-iodo-2-(trifluoromethyl)benzonitrile
CAS Number:
1208076-73-6
Molecular Formula:
C8H2BrF3IN
Molecular Weight:
375.9119
MDL Number:
MFCD12026305
IUPAC Name:
5-bromo-4-iodo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H2BrF3IN/c9-6-1-4(3-14)5(2-7(6)13)8(10,11)12/h1-2H
InChI Key:
QGRFPBOWBYBSBU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c(cc1C(F)(F)F)I
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.837g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.915g/mol
Monoisotopic Mass:
374.837g/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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