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808127-75-5 | 4-Bromo-6-methoxyisoindolin-1-one
CAS No: 808127-75-5 Catalog No: AG005IPH MDL No:MFCD13177807
Product Description
Catalog Number:
AG005IPH
Chemical Name:
4-Bromo-6-methoxyisoindolin-1-one
CAS Number:
808127-75-5
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD13177807
IUPAC Name:
4-bromo-6-methoxy-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H8BrNO2/c1-13-5-2-6-7(8(10)3-5)4-11-9(6)12/h2-3H,4H2,1H3,(H,11,12)
InChI Key:
VIQFTBKHVUBFJG-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c2c(c1)C(=O)N=C2
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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