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1227924-44-8 |
CAS No: 1227924-44-8 Catalog No: AG01FM47 MDL No:
Product Description
Catalog Number:
AG01FM47
CAS Number:
1227924-44-8
IUPAC Name:
6-bromo-3-[(1S,2S)-2-hydroxycyclohexyl]benzo[h]quinazolin-4-one
InChI:
InChI=1S/C18H17BrN2O2/c19-14-9-13-17(12-6-2-1-5-11(12)14)20-10-21(18(13)23)15-7-3-4-8-16(15)22/h1-2,5-6,9-10,15-16,22H,3-4,7-8H2/t15-,16-/m0/s1
InChI Key:
CMQDLOTVYOZFTF-HOTGVXAUSA-N
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
372.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
373.25g/mol
Monoisotopic Mass:
372.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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