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128593-93-1 | Benzonitrile, 2,4-dichloro-5-fluoro-
CAS No: 128593-93-1 Catalog No: AG000Y79 MDL No:MFCD03840469
Product Description
Catalog Number:
AG000Y79
Chemical Name:
Benzonitrile, 2,4-dichloro-5-fluoro-
CAS Number:
128593-93-1
Molecular Formula:
C7H2Cl2FN
Molecular Weight:
190.0019
MDL Number:
MFCD03840469
IUPAC Name:
2,4-dichloro-5-fluorobenzonitrile
InChI:
InChI=1S/C7H2Cl2FN/c8-5-2-6(9)7(10)1-4(5)3-11/h1-2H
InChI Key:
XZBZWBDTFUFZSU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1Cl)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.998g/mol
Monoisotopic Mass:
188.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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