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methyl 2,3-dihydro-1H-isoindole-1-carboxylate hydrochloride

methyl 2,3-dihydro-1H-isoindole-1-carboxylate hydrochloride

CAS: 60651-97-0

Formula: C10H12ClNO2

SMILES: Cl.COC(=O)C1NCC2=CC=CC=C12

IUPAC: methyl 2,3-dihydro-1H-isoindole-1-carboxylate hydrochloride

InChI: InChI=1/C10H11NO2.ClH/c1-13-10(12)9-8-5-3-2-4-7(8)6-11-9;/h2-5,9,11H,6H2,1H3;1H

Composition: C (56.22%), H (5.66%), Cl (16.59%), N (6.56%), O (14.98%)

Molar Mass: 213.66

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 213.0556563
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DJNUAJTYYAIRRW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.46
Topological Polar Surface Area 38.33
Polarizability 19.25
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
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Ships Within
Days
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 60651-97-0 $342.70-$4,597.70$342.70$457.70$572.70$802.70$1,147.70$4,597.70
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