3-amino-3-(4-chloro-3-cyanophenyl)propanoic acid hydrochloride

3-amino-3-(4-chloro-3-cyanophenyl)propanoic acid hydrochloride

Formula: C10H10Cl2N2O2

SMILES: Cl.NC(CC(O)=O)C1=CC(C#N)=C(Cl)C=C1

IUPAC: 3-amino-3-(4-chloro-3-cyanophenyl)propanoic acid hydrochloride

InChI: InChI=1/C10H9ClN2O2.ClH/c11-8-2-1-6(3-7(8)5-12)9(13)4-10(14)15;/h1-3,9H,4,13H2,(H,14,15);1H

Composition: C (46.00%), H (3.86%), Cl (27.15%), N (10.73%), O (12.25%)

Molar Mass: 261.1

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	260.011933
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PNMKUSHIIVOYFU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.51
Topological Polar Surface Area	87.11
Polarizability	21.65
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H10Cl2N2O2		Quote Only