2,5-difluoro-4-(4-methylpiperazin-1-yl)benzoic acid

2,5-difluoro-4-(4-methylpiperazin-1-yl)benzoic acid

CAS: 1408103-81-0

Formula: C12H14F2N2O2

SMILES: CN1CCN(CC1)C1=CC(F)=C(C=C1F)C(O)=O

IUPAC: 2,5-difluoro-4-(4-methylpiperazin-1-yl)benzoic acid

InChI: InChI=1S/C12H14F2N2O2/c1-15-2-4-16(5-3-15)11-7-9(13)8(12(17)18)6-10(11)14/h6-7H,2-5H2,1H3,(H,17,18)

Composition: C (56.25%), H (5.51%), F (14.83%), N (10.93%), O (12.49%)

Molar Mass: 256.253

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.102334025
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MCXJPRWCYDMQEC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.23
Topological Polar Surface Area	43.78
Polarizability	23.29
Ring Count	2
Rotatable Bond Count	2

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