(1S)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole hydrochloride

(1S)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole hydrochloride

CAS: 2331211-82-4

Formula: C9H11BrClN

SMILES: Cl.C[C@@H]1NCC2=CC(Br)=CC=C12

IUPAC: (1S)-5-bromo-1-methyl-2,3-dihydro-1H-isoindole hydrochloride

InChI: InChI=1S/C9H10BrN.ClH/c1-6-9-3-2-8(10)4-7(9)5-11-6;/h2-4,6,11H,5H2,1H3;1H/t6-;/m0./s1

Composition: C (43.49%), H (4.46%), Br (32.15%), Cl (14.26%), N (5.64%)

Molar Mass: 248.55

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 246.97634
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey TWYJGRVECRRQTM-RGMNGODLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.9
Topological Polar Surface Area 12.03
Polarizability 19.36
Ring Count 2
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2331211-82-4 $286.35-$7,912.00$286.35$457.70$687.70$1,147.70$2,162.00$7,912.00
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