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191602-89-8 | Benzonitrile, 3-bromo-4-(trifluoromethoxy)-
CAS No: 191602-89-8 Catalog No: AG002FD1 MDL No:MFCD13195683
Product Description
Catalog Number:
AG002FD1
Chemical Name:
Benzonitrile, 3-bromo-4-(trifluoromethoxy)-
CAS Number:
191602-89-8
Molecular Formula:
C8H3BrF3NO
Molecular Weight:
266.0147
MDL Number:
MFCD13195683
IUPAC Name:
3-bromo-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3BrF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H
InChI Key:
KAKWODPBBWZVMD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)OC(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.017g/mol
Monoisotopic Mass:
264.935g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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