2-amino-2-(4-fluorophenyl)propanoic acid

2-amino-2-(4-fluorophenyl)propanoic acid

CAS: 312-44-7

Formula: C9H10FNO2

SMILES: CC(N)(C(O)=O)C1=CC=C(F)C=C1

IUPAC: 2-amino-2-(4-fluorophenyl)propanoic acid

InChI: InChI=1/C9H10FNO2/c1-9(11,8(12)13)6-2-4-7(10)5-3-6/h2-5H,11H2,1H3,(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	1
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	ORLSRSJHRJOCNH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.29
Topological Polar Surface Area	63.32
Polarizability	17.6
Ring Count	1
Rotatable Bond Count	2

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