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3-[(3-fluorophenyl)amino]propanoic acid

3-[(3-fluorophenyl)amino]propanoic acid

CAS: 885275-89-8

Formula: C9H10FNO2

SMILES: OC(=O)CCNC1=CC=CC(F)=C1

IUPAC: 3-[(3-fluorophenyl)amino]propanoic acid

InChI: InChI=1S/C9H10FNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)

Composition: C (59.01%), H (5.50%), F (10.37%), N (7.65%), O (17.47%)

Molar Mass: 183.182

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 183.069556729
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WKMPTGFIUPPIGN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.25
Topological Polar Surface Area 49.33
Polarizability 17.24
Ring Count 1
Rotatable Bond Count 4

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