5-chloro-2-(2,2-dimethylpropanamido)benzoic acid

5-chloro-2-(2,2-dimethylpropanamido)benzoic acid

Formula: C12H14ClNO3

SMILES: CC(C)(C)C(=O)NC1=C(C=C(Cl)C=C1)C(O)=O

IUPAC: 5-chloro-2-(2,2-dimethylpropanamido)benzoic acid

InChI: InChI=1S/C12H14ClNO3/c1-12(2,3)11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)

Composition: C (56.37%), H (5.52%), Cl (13.86%), N (5.48%), O (18.77%)

Molar Mass: 255.7

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.066221
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LDTDXXMUSRIYOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.68
Topological Polar Surface Area	66.4
Polarizability	24.99
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H14ClNO3		Quote Only