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864867-61-8 | 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(3-hydroxypropyl)-
CAS No: 864867-61-8 Catalog No: AG004M2L MDL No:
Product Description
Catalog Number:
AG004M2L
Chemical Name:
1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(3-hydroxypropyl)-
CAS Number:
864867-61-8
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
IUPAC Name:
5-bromo-2-(3-hydroxypropyl)-3H-isoindol-1-one
InChI:
InChI=1S/C11H12BrNO2/c12-9-2-3-10-8(6-9)7-13(11(10)15)4-1-5-14/h2-3,6,14H,1,4-5,7H2
InChI Key:
RPWUUNFGTODBDA-UHFFFAOYSA-N
SMILES:
OCCCN1Cc2c(C1=O)ccc(c2)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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