CAS: 39512-46-4
名称: 4-chloro-1-pyridin-4-ylbutan-1-one
SMILES:
C1=CN=CC=C1C(=O)CCCClMolecular Processing
Molecular formula
C9H10ClNO
Molecular weight
183.64
Exact mass
183.0451
XLogP
2.28
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.52
Supplementary Information
InChIKey: DUNPXWOFDQPIRH-UHFFFAOYSA-N
同義語
39512-46-44-chloro-1-(4-pyridinyl)-1-butanone1-Butanone, 4-chloro-1-(4-pyridinyl)-3-chloropropyl-4-pyridylketoneSCHEMBL5410511DUNPXWOFDQPIRH-UHFFFAOYSA-N4-chloro-1-(4-pyridyl)butan-1-oneDB-195397
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