3-[(4-chloro-2-fluorophenyl)carbamoyl]propanoic acid

3-[(4-chloro-2-fluorophenyl)carbamoyl]propanoic acid

CAS: 904810-52-2

Formula: C10H9ClFNO3

SMILES: OC(=O)CCC(=O)NC1=C(F)C=C(Cl)C=C1

IUPAC: 3-[(4-chloro-2-fluorophenyl)carbamoyl]propanoic acid

InChI: InChI=1S/C10H9ClFNO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-2,5H,3-4H2,(H,13,14)(H,15,16)

Composition: C (48.90%), H (3.69%), Cl (14.43%), F (7.73%), N (5.70%), O (19.54%)

Molar Mass: 245.63

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.025499
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	IAXPBKWZXXEWQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.84
Topological Polar Surface Area	66.4
Polarizability	21.16
Ring Count	1
Rotatable Bond Count	4

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