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198067-01-5 | Ethanone, 1-(1H-benzotriazol-1-yl)-2,2-dichloro-
CAS No: 198067-01-5 Catalog No: AG002B9C MDL No:
Product Description
Catalog Number:
AG002B9C
Chemical Name:
Ethanone, 1-(1H-benzotriazol-1-yl)-2,2-dichloro-
CAS Number:
198067-01-5
Molecular Formula:
C8H5Cl2N3O
Molecular Weight:
230.0508
IUPAC Name:
1-(benzotriazol-1-yl)-2,2-dichloroethanone
InChI:
InChI=1S/C8H5Cl2N3O/c9-7(10)8(14)13-6-4-2-1-3-5(6)11-12-13/h1-4,7H
InChI Key:
BZMPDUUOLZEJCA-UHFFFAOYSA-N
SMILES:
ClC(C(=O)n1nnc2c1cccc2)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.981g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.048g/mol
Monoisotopic Mass:
228.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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