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289039-29-8 | Benzonitrile, 2-chloro-5-iodo-
CAS No: 289039-29-8 Catalog No: AG002X05 MDL No:MFCD00672973
Product Description
Catalog Number:
AG002X05
Chemical Name:
Benzonitrile, 2-chloro-5-iodo-
CAS Number:
289039-29-8
Molecular Formula:
C7H3ClIN
Molecular Weight:
263.4629
MDL Number:
MFCD00672973
IUPAC Name:
2-chloro-5-iodobenzonitrile
InChI:
InChI=1S/C7H3ClIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI Key:
RXNOBNYCCAEGJD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)ccc1Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.9g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.462g/mol
Monoisotopic Mass:
262.9g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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