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4-(3-nitrophenyl)butan-2-one

4-(3-nitrophenyl)butan-2-one

CAS: 3506-81-8

Formula: C10H11NO3

SMILES: CC(=O)CCC1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 4-(3-nitrophenyl)butan-2-one

InChI: InChI=1S/C10H11NO3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3

Composition: C (62.17%), H (5.74%), N (7.25%), O (24.84%)

Molar Mass: 193.202

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 193.073893218
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VYVUFYWGUYOWTO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.84
Topological Polar Surface Area 60.21
Polarizability 19.64
Ring Count 1
Rotatable Bond Count 4

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97% <5 Days 3506-81-8 $79.44-$199.24$79.44$199.24
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