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1483-55-2 | Benzonitrile, 2-bromo-5-(trifluoromethyl)-
CAS No: 1483-55-2 Catalog No: AG001FLW MDL No:MFCD03412187
Product Description
Catalog Number:
AG001FLW
Chemical Name:
Benzonitrile, 2-bromo-5-(trifluoromethyl)-
CAS Number:
1483-55-2
Molecular Formula:
C8H3BrF3N
Molecular Weight:
250.0153
MDL Number:
MFCD03412187
IUPAC Name:
2-bromo-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3BrF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H
InChI Key:
ICEINTPQBJRYDE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Br)C(F)(F)F
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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