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28708-48-7 | 1-(2,3-dihydro-1H-isoindol-2-yl)propan-2-one hydrochloride
CAS No: 28708-48-7 Catalog No: AG01BDMC MDL No:MFCD28023769
Product Description
Catalog Number:
AG01BDMC
Chemical Name:
1-(2,3-dihydro-1H-isoindol-2-yl)propan-2-one hydrochloride
CAS Number:
28708-48-7
Molecular Formula:
C11H14ClNO
Molecular Weight:
211.6880
MDL Number:
MFCD28023769
IUPAC Name:
1-(1,3-dihydroisoindol-2-yl)propan-2-one;hydrochloride
InChI:
InChI=1S/C11H13NO.ClH/c1-9(13)6-12-7-10-4-2-3-5-11(10)8-12;/h2-5H,6-8H2,1H3;1H
InChI Key:
IFPJIPUPPFYOFF-UHFFFAOYSA-N
SMILES:
CC(=O)CN1Cc2c(C1)cccc2.Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.689g/mol
Monoisotopic Mass:
211.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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