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17654-68-1 | 1,2-Benzenedicarbonitrile, 4-chloro-
CAS No: 17654-68-1 Catalog No: AG0024RA MDL No:MFCD19689404
Product Description
Catalog Number:
AG0024RA
Chemical Name:
1,2-Benzenedicarbonitrile, 4-chloro-
CAS Number:
17654-68-1
Molecular Formula:
C8H3ClN2
Molecular Weight:
162.5758
MDL Number:
MFCD19689404
IUPAC Name:
4-chlorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H3ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChI Key:
SZSLISKYJBQHQC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1C#N
EC Number:
241-635-5
NSC Number:
27005
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.576g/mol
Monoisotopic Mass:
161.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Synthesis and photophysical properties of tetra- and octasubstituted phosphorous oxide triazatetrabenzcorrole photosensitizers. | Metal-based drugs 20080101 |
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