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

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

CAS: 1260004-83-8

Formula: C10H12FNO2

SMILES: CC1=C(F)C=CC=C1CC(N)C(O)=O

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

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

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	GTXNGJQJNNNKGD-UHFFFAOYNA-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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97%	<7 Days	1260004-83-8		$92.16-$640.32$92.16$356.16$640.32