3-amino-3-[2-(difluoromethoxy)phenyl]propanoic acid

3-amino-3-[2-(difluoromethoxy)phenyl]propanoic acid

CAS: 127842-69-7

Formula: C10H11F2NO3

SMILES: NC(CC(O)=O)C1=C(OC(F)F)C=CC=C1

IUPAC: 3-amino-3-[2-(difluoromethoxy)phenyl]propanoic acid

InChI: InChI=1/C10H11F2NO3/c11-10(12)16-8-4-2-1-3-6(8)7(13)5-9(14)15/h1-4,7,10H,5,13H2,(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	MJAMQUZSDYHIAK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.46
Topological Polar Surface Area	72.55
Polarizability	20.02
Ring Count	1
Rotatable Bond Count	5

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95%	<5 Days	127842-69-7		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00