2-amino-4-(2,5-dichlorophenyl)butanoic acid

2-amino-4-(2,5-dichlorophenyl)butanoic acid

CAS: 1260605-24-0

Formula: C10H11Cl2NO2

SMILES: NC(CCC1=C(Cl)C=CC(Cl)=C1)C(O)=O

IUPAC: 2-amino-4-(2,5-dichlorophenyl)butanoic acid

InChI: InChI=1/C10H11Cl2NO2/c11-7-2-3-8(12)6(5-7)1-4-9(13)10(14)15/h2-3,5,9H,1,4,13H2,(H,14,15)

Composition: C (48.41%), H (4.47%), Cl (28.58%), N (5.65%), O (12.90%)

Molar Mass: 248.1

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	247.016684
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RJEDYAFWGILHRM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.33
Topological Polar Surface Area	63.32
Polarizability	23.54
Ring Count	1
Rotatable Bond Count	4

Suppliers

Acrotein ChemBio Inc.,

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97%	<7 Days	1260605-24-0		$275.52-$620.16$275.52$413.76$620.16

Struchem co.,ltd

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95%	<5 Days	1260605-24-0		$647.00-$2,750.00$647.00$1,600.00$2,750.00