4-[(1R)-1-aminoethyl]-3-chlorobenzonitrile hydrochloride

4-[(1R)-1-aminoethyl]-3-chlorobenzonitrile hydrochloride

CAS: 2703746-26-1

Formula: C9H10Cl2N2

SMILES: Cl.C[C@@H](N)C1=CC=C(C=C1Cl)C#N

IUPAC: 4-[(1R)-1-aminoethyl]-3-chlorobenzonitrile hydrochloride

InChI: InChI=1S/C9H9ClN2.ClH/c1-6(12)8-3-2-7(5-11)4-9(8)10;/h2-4,6H,12H2,1H3;1H/t6-;/m1./s1

Composition: C (49.79%), H (4.64%), Cl (32.66%), N (12.90%)

Molar Mass: 217.09

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	216.0221037
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OUPXZWDDFCFSIX-FYZOBXCZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.48
Topological Polar Surface Area	49.81
Polarizability	19.23
Ring Count	1
Rotatable Bond Count	1

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