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Home Halogens 1H-Pyrazole-4-methanol, 5-chloro-3-methyl-1-phenyl-

1H-Pyrazole-4-methanol, 5-chloro-3-methyl-1-phenyl-

CAS No.:
1136-60-3
Catalog Number:
AG000948
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
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Product Description
Catalog Number:
AG000948
Chemical Name:
1H-Pyrazole-4-methanol, 5-chloro-3-methyl-1-phenyl-
CAS Number:
1136-60-3
Molecular Formula:
C11H11ClN2O
Molecular Weight:
222.6708
MDL Number:
MFCD00514523
IUPAC Name:
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol
InChI:
InChI=1S/C11H11ClN2O/c1-8-10(7-15)11(12)14(13-8)9-5-3-2-4-6-9/h2-6,15H,7H2,1H3
InChI Key:
MOMLHNYGSVMETK-UHFFFAOYSA-N
SMILES:
OCc1c(C)nn(c1Cl)c1ccccc1
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.672g/mol
Monoisotopic Mass:
222.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties