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3-[(4-chlorophenyl)sulfanyl]-5-nitroaniline

3-[(4-chlorophenyl)sulfanyl]-5-nitroaniline

CAS: 208038-97-5

Formula: C12H9ClN2O2S

SMILES: NC1=CC(SC2=CC=C(Cl)C=C2)=CC(=C1)[N+]([O-])=O

IUPAC: 3-[(4-chlorophenyl)sulfanyl]-5-nitroaniline

InChI: InChI=1S/C12H9ClN2O2S/c13-8-1-3-11(4-2-8)18-12-6-9(14)5-10(7-12)15(16)17/h1-7H,14H2

Composition: C (51.34%), H (3.23%), Cl (12.63%), N (9.98%), O (11.40%), S (11.42%)

Molar Mass: 280.73

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 280.0073264
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XNTJKAAHSIFLNE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.57
Topological Polar Surface Area 69.16
Polarizability 27.84
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 208038-97-5 $65.00$65.00
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