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6068-72-0 | 4-Cyanobenzoyl chloride
CAS No: 6068-72-0 Catalog No: AG003L97 MDL No:MFCD00001822
Product Description
Catalog Number:
AG003L97
Chemical Name:
4-Cyanobenzoyl chloride
CAS Number:
6068-72-0
Molecular Formula:
C8H4ClNO
Molecular Weight:
165.5765
MDL Number:
MFCD00001822
IUPAC Name:
4-cyanobenzoyl chloride
InChI:
InChI=1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChI Key:
USEDMAWWQDFMFY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)Cl
EC Number:
228-005-5
UNII:
2577FDE7A8
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| An improved synthesis of 1,2,4-oxadiazoles on solid support. | Bioorganic & medicinal chemistry letters 20010326 |
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