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1-(4-chloro-2-nitrophenyl)propan-2-one

1-(4-chloro-2-nitrophenyl)propan-2-one

CAS: 6127-13-5

Formula: C9H8ClNO3

SMILES: CC(=O)CC1=C(C=C(Cl)C=C1)[N+]([O-])=O

IUPAC: 1-(4-chloro-2-nitrophenyl)propan-2-one

InChI: InChI=1S/C9H8ClNO3/c1-6(12)4-7-2-3-8(10)5-9(7)11(13)14/h2-3,5H,4H2,1H3

Composition: C (50.60%), H (3.77%), Cl (16.60%), N (6.56%), O (22.47%)

Molar Mass: 213.62

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.0192708
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FFKZZFYNPRVOMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.04
Topological Polar Surface Area 60.21
Polarizability 19.75
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
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