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206986-84-7 | Phenol, 4-chloro-5-methyl-2-(1H-pyrazol-3-yl)-
CAS No: 206986-84-7 Catalog No: AG002ISG MDL No:MFCD00209565
Product Description
Catalog Number:
AG002ISG
Chemical Name:
Phenol, 4-chloro-5-methyl-2-(1H-pyrazol-3-yl)-
CAS Number:
206986-84-7
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD00209565
IUPAC Name:
4-chloro-5-methyl-2-(1H-pyrazol-5-yl)phenol
InChI:
InChI=1S/C10H9ClN2O/c1-6-4-10(14)7(5-8(6)11)9-2-3-12-13-9/h2-5,14H,1H3,(H,12,13)
InChI Key:
ZACPHJJGWLADHD-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c(cc1c1n[nH]cc1)Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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