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88066-89-1 | 2(1H)-Pyrazinone, 5-(3-chlorophenyl)-
CAS No: 88066-89-1 Catalog No: AG004KRF MDL No:MFCD31429895
Product Description
Catalog Number:
AG004KRF
Chemical Name:
2(1H)-Pyrazinone, 5-(3-chlorophenyl)-
CAS Number:
88066-89-1
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
MDL Number:
MFCD31429895
IUPAC Name:
5-(3-chlorophenyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C10H7ClN2O/c11-8-3-1-2-7(4-8)9-5-13-10(14)6-12-9/h1-6H,(H,13,14)
InChI Key:
GNKNPXDGFFJDQY-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1c[nH]c(=O)cn1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.629g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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