(3R)-3-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride

(3R)-3-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride

CAS: 269396-55-6

Formula: C10H12Cl3NO2

SMILES: Cl.N[C@@H](CC(O)=O)CC1=CC(Cl)=C(Cl)C=C1

IUPAC: (3R)-3-amino-4-(3,4-dichlorophenyl)butanoic acid hydrochloride

InChI: InChI=1S/C10H11Cl2NO2.ClH/c11-8-2-1-6(4-9(8)12)3-7(13)5-10(14)15;/h1-2,4,7H,3,5,13H2,(H,14,15);1H/t7-;/m1./s1

Composition: C (42.21%), H (4.25%), Cl (37.37%), N (4.92%), O (11.24%)

Molar Mass: 284.56

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	282.9933617
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RNDGKTAEVJUWKK-OGFXRTJISA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.35
Topological Polar Surface Area	63.32
Polarizability	23.57
Ring Count	1
Rotatable Bond Count	4

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