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3218-50-6 | 2,5-Dichlorobenzyl cyanide
CAS No: 3218-50-6 Catalog No: AG003FXG MDL No:MFCD02671209
Product Description
Catalog Number:
AG003FXG
Chemical Name:
2,5-Dichlorobenzyl cyanide
CAS Number:
3218-50-6
Molecular Formula:
C8H5Cl2N
Molecular Weight:
186.0380
MDL Number:
MFCD02671209
IUPAC Name:
2-(2,5-dichlorophenyl)acetonitrile
InChI:
InChI=1S/C8H5Cl2N/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3H2
InChI Key:
RLUBZPCKOYSHNQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1CC#N)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.035g/mol
Monoisotopic Mass:
184.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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