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88137-71-7 | Ethanone, 2-chloro-1-(1-phenyl-1H-1,2,3-triazol-4-yl)-
CAS No: 88137-71-7 Catalog No: AG004H5G MDL No:
Product Description
Catalog Number:
AG004H5G
Chemical Name:
Ethanone, 2-chloro-1-(1-phenyl-1H-1,2,3-triazol-4-yl)-
CAS Number:
88137-71-7
Molecular Formula:
C10H8ClN3O
Molecular Weight:
221.6430
IUPAC Name:
2-chloro-1-(1-phenyltriazol-4-yl)ethanone
InChI:
InChI=1S/C10H8ClN3O/c11-6-10(15)9-7-14(13-12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key:
GIZDLMMDERTJBO-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1nnn(c1)c1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.644g/mol
Monoisotopic Mass:
221.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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