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3-chloro-4-methoxy-7-nitro-1-benzothiophene-2-carboxylic acid

3-chloro-4-methoxy-7-nitro-1-benzothiophene-2-carboxylic acid

Formula: C10H6ClNO5S

SMILES: COC1=C2C(Cl)=C(SC2=C(C=C1)[N+]([O-])=O)C(O)=O

IUPAC: 3-chloro-4-methoxy-7-nitro-1-benzothiophene-2-carboxylic acid

InChI: InChI=1S/C10H6ClNO5S/c1-17-5-3-2-4(12(15)16)8-6(5)7(11)9(18-8)10(13)14/h2-3H,1H3,(H,13,14)

Composition: C (41.75%), H (2.10%), Cl (12.32%), N (4.87%), O (27.81%), S (11.14%)

Molar Mass: 287.67

Atom Count: 24

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 286.9655212
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey DSWQXGROTJTCQZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.03
Topological Polar Surface Area 89.67
Polarizability 25.35
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
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Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C10H6ClNO5S $2,420.00-$4,224.00$2,420.00$4,224.00
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