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21663-61-6 | 2,5-Dichlorobenzonitrile
CAS No: 21663-61-6 Catalog No: AG003FXC MDL No:MFCD00019741
Product Description
Catalog Number:
AG003FXC
Chemical Name:
2,5-Dichlorobenzonitrile
CAS Number:
21663-61-6
Molecular Formula:
C7H3Cl2N
Molecular Weight:
172.0114
MDL Number:
MFCD00019741
IUPAC Name:
2,5-dichlorobenzonitrile
InChI:
InChI=1S/C7H3Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key:
LNGWRTKJZCBXGT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1Cl
EC Number:
244-518-7
NSC Number:
166361
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.008g/mol
Monoisotopic Mass:
170.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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