(3S)-3-amino-3-(3-bromophenyl)propanenitrile

(3S)-3-amino-3-(3-bromophenyl)propanenitrile

CAS: 1213635-67-6

Formula: C9H9BrN2

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

IUPAC: (3S)-3-amino-3-(3-bromophenyl)propanenitrile

InChI: InChI=1S/C9H9BrN2/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6,9H,4,12H2/t9-/m0/s1

Composition: C (48.03%), H (4.03%), Br (35.50%), N (12.45%)

Molar Mass: 225.089

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	223.994911
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GITORGWRDGQHSI-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.59
Topological Polar Surface Area	49.81
Polarizability	19.98
Ring Count	1
Rotatable Bond Count	2

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