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Home > Bromides > 1226879-79-3
1226879-79-3 | 1H-Isoindol-1-one, 7-broMo-2,3-dihydro-6-Methoxy-
CAS No: 1226879-79-3 Catalog No: AG000J02 MDL No:MFCD21605666
Product Description
Catalog Number:
AG000J02
Chemical Name:
1H-Isoindol-1-one, 7-broMo-2,3-dihydro-6-Methoxy-
CAS Number:
1226879-79-3
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
MDL Number:
MFCD21605666
IUPAC Name:
7-bromo-6-methoxy-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H8BrNO2/c1-13-6-3-2-5-4-11-9(12)7(5)8(6)10/h2-3H,4H2,1H3,(H,11,12)
InChI Key:
CLUBNXMGJUOTNO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1Br)C(=O)NC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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