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133059-44-6 | Benzonitrile, 4-bromo-3-fluoro-
CAS No: 133059-44-6 Catalog No: AG00145X MDL No:MFCD07782069
Product Description
Catalog Number:
AG00145X
Chemical Name:
Benzonitrile, 4-bromo-3-fluoro-
CAS Number:
133059-44-6
Molecular Formula:
C7H3BrFN
Molecular Weight:
200.0078
MDL Number:
MFCD07782069
IUPAC Name:
4-bromo-3-fluorobenzonitrile
InChI:
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChI Key:
QBKXYSXQKRNVRQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)Br
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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