methyl (2S)-2-amino-2-(2-fluorophenyl)acetate

methyl (2S)-2-amino-2-(2-fluorophenyl)acetate

CAS: 1213966-01-8

Formula: C9H10FNO2

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

IUPAC: methyl (2S)-2-amino-2-(2-fluorophenyl)acetate

InChI: InChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3/t8-/m0/s1

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	2
Hydrogen Bond Donor Count	1
InChIKey	NNBTVDCABPEXGX-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.35
Topological Polar Surface Area	52.32
Polarizability	17.84
Ring Count	1
Rotatable Bond Count	3

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