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73816-64-5 | N-Isopropylisoindoline hydrochloride
CAS No: 73816-64-5 Catalog No: AG005KBV MDL No:
Product Description
Catalog Number:
AG005KBV
Chemical Name:
N-Isopropylisoindoline hydrochloride
CAS Number:
73816-64-5
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
IUPAC Name:
2-propan-2-yl-2,3-dihydro-1H-isoindol-2-ium;chloride
InChI:
InChI=1S/C11H15N.ClH/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;/h3-6,9H,7-8H2,1-2H3;1H
InChI Key:
FBVAFYVFMAVNIV-UHFFFAOYSA-N
SMILES:
CC(N1Cc2c(C1)cccc2)C.Cl
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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