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bis(4-chloropyridine-3-carboxylic acid)

bis(4-chloropyridine-3-carboxylic acid)

CAS: 10177-29-4

Formula: C12H8Cl2N2O4

SMILES: OC(=O)C1=C(Cl)C=CN=C1.OC(=O)C1=C(Cl)C=CN=C1

IUPAC: bis(4-chloropyridine-3-carboxylic acid)

InChI: InChI=1S/2C6H4ClNO2/c2*7-5-1-2-8-3-4(5)6(9)10/h2*1-3H,(H,9,10)

Composition: C (45.74%), H (2.56%), Cl (22.50%), N (8.89%), O (20.31%)

Molar Mass: 315.11

Atom Count: 28

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.9861121
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AFERUQORDIRXBH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.96
Topological Polar Surface Area 50.19
Polarizability 13.77
Ring Count 2
Rotatable Bond Count 2

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98% <5 Days 10177-29-4 $480.00-$610.00$480.00$610.00
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