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ethyl 2-amino-5-chloro-4-fluorobenzoate

ethyl 2-amino-5-chloro-4-fluorobenzoate

CAS: 1869938-65-7

Formula: C9H9ClFNO2

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

IUPAC: ethyl 2-amino-5-chloro-4-fluorobenzoate

InChI: InChI=1S/C9H9ClFNO2/c1-2-14-9(13)5-3-6(10)7(11)4-8(5)12/h3-4H,2,12H2,1H3

Composition: C (49.67%), H (4.17%), Cl (16.29%), F (8.73%), N (6.44%), O (14.70%)

Molar Mass: 217.62

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 217.0305844
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QNUQHFIIYRQART-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.55
Topological Polar Surface Area 52.32
Polarizability 19.42
Ring Count 1
Rotatable Bond Count 3

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