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17823-40-4 | Benzonitrile, 4-bromo-2,3,5,6-tetrafluoro-
CAS No: 17823-40-4 Catalog No: AG0025UN MDL No:MFCD00075282
Product Description
Catalog Number:
AG0025UN
Chemical Name:
Benzonitrile, 4-bromo-2,3,5,6-tetrafluoro-
CAS Number:
17823-40-4
Molecular Formula:
C7BrF4N
Molecular Weight:
253.9792
MDL Number:
MFCD00075282
IUPAC Name:
4-bromo-2,3,5,6-tetrafluorobenzonitrile
InChI:
InChI=1S/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12
InChI Key:
STJZOKCIEOTPDV-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)c(F)c(c(c1F)F)Br
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.915g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.982g/mol
Monoisotopic Mass:
252.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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