ethyl 3-amino-2,4-dichloro-5-fluorobenzoate

ethyl 3-amino-2,4-dichloro-5-fluorobenzoate

CAS: 1089333-20-9

Formula: C9H8Cl2FNO2

SMILES: CCOC(=O)C1=C(Cl)C(N)=C(Cl)C(F)=C1

IUPAC: ethyl 3-amino-2,4-dichloro-5-fluorobenzoate

InChI: InChI=1S/C9H8Cl2FNO2/c1-2-15-9(14)4-3-5(12)7(11)8(13)6(4)10/h3H,2,13H2,1H3

Composition: C (42.89%), H (3.20%), Cl (28.13%), F (7.54%), N (5.56%), O (12.69%)

Molar Mass: 252.07

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.9916121
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LJGOXBGOXOYPOP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.36
Topological Polar Surface Area	52.32
Polarizability	21.43
Ring Count	1
Rotatable Bond Count	3

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