2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

CAS: 3321-96-8

Formula: C9H6F5NO2

SMILES: NC(CC1=C(F)C(F)=C(F)C(F)=C1F)C(O)=O

IUPAC: 2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid

InChI: InChI=1/C9H6F5NO2/c10-4-2(1-3(15)9(16)17)5(11)7(13)8(14)6(4)12/h3H,1,15H2,(H,16,17)

Composition: C (42.37%), H (2.37%), F (37.23%), N (5.49%), O (12.54%)

Molar Mass: 255.144

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.031869252
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YYTDJPUFAVPHQA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.2
Topological Polar Surface Area	63.32
Polarizability	17.13
Ring Count	1
Rotatable Bond Count	3

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