3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propanoic acid

3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propanoic acid

CAS: 682804-35-9

Formula: C10H9ClF3NO2

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

IUPAC: 3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propanoic acid

InChI: InChI=1/C10H9ClF3NO2/c11-7-2-1-5(8(15)4-9(16)17)3-6(7)10(12,13)14/h1-3,8H,4,15H2,(H,16,17)

Composition: C (44.88%), H (3.39%), Cl (13.25%), F (21.30%), N (5.23%), O (11.96%)

Molar Mass: 267.63

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	267.0273907
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RFJJTNZTPMHTLV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.76
Topological Polar Surface Area	63.32
Polarizability	21.14
Ring Count	1
Rotatable Bond Count	4

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95%	<5 Days	682804-35-9		$2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00