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874781-08-5 | 2-Chloro-3-fluorobenzonitrile
CAS No: 874781-08-5 Catalog No: AG004EPH MDL No:MFCD03407966
Product Description
Catalog Number:
AG004EPH
Chemical Name:
2-Chloro-3-fluorobenzonitrile
CAS Number:
874781-08-5
Molecular Formula:
C7H3ClFN
Molecular Weight:
155.5568
MDL Number:
MFCD03407966
IUPAC Name:
2-chloro-3-fluorobenzonitrile
InChI:
InChI=1S/C7H3ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChI Key:
ROXFZJBRIXTCPI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Cl)F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.994g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.556g/mol
Monoisotopic Mass:
154.994g/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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