(2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoic acid

(2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoic acid

CAS: 1039031-55-4

Formula: C10H12FNO2

SMILES: CC1=CC=C(C[C@H](N)C(O)=O)C(F)=C1

IUPAC: (2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoic acid

InChI: InChI=1S/C10H12FNO2/c1-6-2-3-7(8(11)4-6)5-9(12)10(13)14/h2-4,9H,5,12H2,1H3,(H,13,14)/t9-/m0/s1

Composition: C (60.90%), H (6.13%), F (9.63%), N (7.10%), O (16.23%)

Molar Mass: 197.209

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	197.085206793
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZWMXOQFVRKESMD-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.37
Topological Polar Surface Area	63.32
Polarizability	19.36
Ring Count	1
Rotatable Bond Count	3

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