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918331-70-1

918331-70-1 | 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxy-6-methylphenyl)-

CAS No: 918331-70-1 Catalog No: AG006GCI MDL No:

Product Description

Catalog Number:
AG006GCI
Chemical Name:
1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(2-hydroxy-6-methylphenyl)-
CAS Number:
918331-70-1
Molecular Formula:
C15H12BrNO2
Molecular Weight:
318.1653
IUPAC Name:
5-bromo-2-(2-hydroxy-6-methylphenyl)-3H-isoindol-1-one
InChI:
InChI=1S/C15H12BrNO2/c1-9-3-2-4-13(18)14(9)17-8-10-7-11(16)5-6-12(10)15(17)19/h2-7,18H,8H2,1H3
InChI Key:
FGPYMEAMQUVVPT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CN(C2=O)c1c(C)cccc1O

Properties

Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.005g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
318.17g/mol
Monoisotopic Mass:
317.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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