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1022154-85-3 | Ethanone, 1-[2-chloro-4-(1H-pyrazol-1-yl)phenyl]-
CAS No: 1022154-85-3 Catalog No: AG0006YI MDL No:
Product Description
Catalog Number:
AG0006YI
Chemical Name:
Ethanone, 1-[2-chloro-4-(1H-pyrazol-1-yl)phenyl]-
CAS Number:
1022154-85-3
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
IUPAC Name:
1-(2-chloro-4-pyrazol-1-ylphenyl)ethanone
InChI:
InChI=1S/C11H9ClN2O/c1-8(15)10-4-3-9(7-11(10)12)14-6-2-5-13-14/h2-7H,1H3
InChI Key:
SAOFYOLRHBJZAS-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1Cl)n1cccn1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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