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

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

CAS: 1335986-46-3

Formula: C9H9ClN2

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

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

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

Composition: C (59.84%), H (5.02%), Cl (19.63%), N (15.51%)

Molar Mass: 180.64

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 180.045426
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HZZCAIWCBDRYHA-ZCFIWIBFSA-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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