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methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride

methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride

CAS: 42718-18-3

Formula: C9H11ClFNO2

SMILES: Cl.COC(=O)C(N)C1=CC=C(F)C=C1

IUPAC: methyl 2-amino-2-(4-fluorophenyl)acetate hydrochloride

InChI: InChI=1/C9H10FNO2.ClH/c1-13-9(12)8(11)6-2-4-7(10)5-3-6;/h2-5,8H,11H2,1H3;1H

Composition: C (49.22%), H (5.05%), Cl (16.14%), F (8.65%), N (6.38%), O (14.57%)

Molar Mass: 219.64

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 219.0462345
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JLGSKYIBZLQSFR-UHFFFAOYNA-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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