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760207-85-0 | 3-Bromo-5-(trifluoromethyl)picolinonitrile
CAS No: 760207-85-0 Catalog No: AG0058FB MDL No:MFCD11977431
Product Description
Catalog Number:
AG0058FB
Chemical Name:
3-Bromo-5-(trifluoromethyl)picolinonitrile
CAS Number:
760207-85-0
Molecular Formula:
C7H2BrF3N2
Molecular Weight:
251.0034
MDL Number:
MFCD11977431
IUPAC Name:
3-bromo-5-(trifluoromethyl)pyridine-2-carbonitrile
InChI:
InChI=1S/C7H2BrF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChI Key:
AAEOJRPLKSKYLF-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1Br)C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.006g/mol
Monoisotopic Mass:
249.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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