3-amino-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid

3-amino-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid

CAS: 887583-80-4

Formula: C10H11F2NO3

SMILES: COC1=CC(F)=C(C(N)CC(O)=O)C(F)=C1

IUPAC: 3-amino-3-(2,6-difluoro-4-methoxyphenyl)propanoic acid

InChI: InChI=1/C10H11F2NO3/c1-16-5-2-6(11)10(7(12)3-5)8(13)4-9(14)15/h2-3,8H,4,13H2,1H3,(H,14,15)

Composition: C (51.95%), H (4.80%), F (16.43%), N (6.06%), O (20.76%)

Molar Mass: 231.199

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	231.070699544
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PINFNWZPODQSLG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.88
Topological Polar Surface Area	72.55
Polarizability	19.96
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	887583-80-4		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00