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1735-53-1 | Benzonitrile, 4-bromo-3-(trifluoromethyl)-
CAS No: 1735-53-1 Catalog No: AG001YYU MDL No:MFCD03095347
Product Description
Catalog Number:
AG001YYU
Chemical Name:
Benzonitrile, 4-bromo-3-(trifluoromethyl)-
CAS Number:
1735-53-1
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD03095347
IUPAC Name:
4-bromo-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChI Key:
KSXUIQQDHHFSRN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.018g/mol
Monoisotopic Mass:
248.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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