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57381-39-2 | 2-Bromo-5-fluorobenzonitrile
CAS No: 57381-39-2 Catalog No: AG003GPN MDL No:MFCD00142875
Product Description
Catalog Number:
AG003GPN
Chemical Name:
2-Bromo-5-fluorobenzonitrile
CAS Number:
57381-39-2
Molecular Formula:
C7H3BrFN
Molecular Weight:
200.0078
MDL Number:
MFCD00142875
IUPAC Name:
2-bromo-5-fluorobenzonitrile
InChI:
InChI=1S/C7H3BrFN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI Key:
MDHNVHCZDCSTMS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1Br
EC Number:
260-711-9
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.01g/mol
Monoisotopic Mass:
198.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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