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288401-42-3 | Methanone, (4,5-dichloro-2-hydroxyphenyl)-1H-pyrazol-4-yl-
CAS No: 288401-42-3 Catalog No: AG002WS6 MDL No:
Product Description
Catalog Number:
AG002WS6
Chemical Name:
Methanone, (4,5-dichloro-2-hydroxyphenyl)-1H-pyrazol-4-yl-
CAS Number:
288401-42-3
Molecular Formula:
C10H6Cl2N2O2
Molecular Weight:
257.0728
IUPAC Name:
(4,5-dichloro-2-hydroxyphenyl)-(1H-pyrazol-4-yl)methanone
InChI:
InChI=1S/C10H6Cl2N2O2/c11-7-1-6(9(15)2-8(7)12)10(16)5-3-13-14-4-5/h1-4,15H,(H,13,14)
InChI Key:
RGTZZWGNWIUOGX-UHFFFAOYSA-N
SMILES:
Oc1cc(Cl)c(cc1C(=O)c1c[nH]nc1)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.07g/mol
Monoisotopic Mass:
255.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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