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2-chloro-4,5-dimethylpyridine-3-carboxylic acid

2-chloro-4,5-dimethylpyridine-3-carboxylic acid

CAS: 1550852-38-4

Formula: C8H8ClNO2

SMILES: CC1=CN=C(Cl)C(C(O)=O)=C1C

IUPAC: 2-chloro-4,5-dimethylpyridine-3-carboxylic acid

InChI: InChI=1S/C8H8ClNO2/c1-4-3-10-7(9)6(5(4)2)8(11)12/h3H,1-2H3,(H,11,12)

Composition: C (51.77%), H (4.34%), Cl (19.10%), N (7.55%), O (17.24%)

Molar Mass: 185.61

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 185.0243562
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LMVCZABWZIQHFN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.11
Topological Polar Surface Area 50.19
Polarizability 17.31
Ring Count 1
Rotatable Bond Count 1

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97% <2 Days 1550852-38-4 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
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