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918331-66-5

918331-66-5 | 1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(trans-4-hydroxycyclohexyl)-

CAS No: 918331-66-5 Catalog No: AG006GCJ MDL No:

Product Description

Catalog Number:
AG006GCJ
Chemical Name:
1H-Isoindol-1-one, 5-bromo-2,3-dihydro-2-(trans-4-hydroxycyclohexyl)-
CAS Number:
918331-66-5
Molecular Formula:
C14H16BrNO2
Molecular Weight:
310.1863
IUPAC Name:
5-bromo-2-(4-hydroxycyclohexyl)-3H-isoindol-1-one
InChI:
InChI=1S/C14H16BrNO2/c15-10-1-6-13-9(7-10)8-16(14(13)18)11-2-4-12(17)5-3-11/h1,6-7,11-12,17H,2-5,8H2
InChI Key:
MCVJJNMZKZQHLR-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)N1Cc2c(C1=O)ccc(c2)Br

Properties

Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.191g/mol
Monoisotopic Mass:
309.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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