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191165-13-6 | Benzonitrile, 4-bromo-2-(trifluoromethyl)-
CAS No: 191165-13-6 Catalog No: AG002F3A MDL No:MFCD06659466
Product Description
Catalog Number:
AG002F3A
Chemical Name:
Benzonitrile, 4-bromo-2-(trifluoromethyl)-
CAS Number:
191165-13-6
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD06659466
IUPAC Name:
4-bromo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChI Key:
XZZVLHLYHDELAI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(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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