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1191454-46-2 | 3(2H)-Pyridazinone, 4-chloro-5-(cyclopentylmethoxy)-
CAS No: 1191454-46-2 Catalog No: AG000P5Q MDL No:
Product Description
Catalog Number:
AG000P5Q
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-5-(cyclopentylmethoxy)-
CAS Number:
1191454-46-2
Molecular Formula:
C10H13ClN2O2
Molecular Weight:
228.6754
IUPAC Name:
5-chloro-4-(cyclopentylmethoxy)-1H-pyridazin-6-one
InChI:
InChI=1S/C10H13ClN2O2/c11-9-8(5-12-13-10(9)14)15-6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,13,14)
InChI Key:
XTKVQXIAVCHJNQ-UHFFFAOYSA-N
SMILES:
Clc1c(OCC2CCCC2)cn[nH]c1=O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.676g/mol
Monoisotopic Mass:
228.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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