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15942-08-2 | Cyclohexanol, 4-(6,8-dibromo-1,4-dihydro-3(2H)-quinazolinyl)-, hydrochloride (1:1), trans-
CAS No: 15942-08-2 Catalog No: AG001QP5 MDL No:MFCD26967902
Product Description
Catalog Number:
AG001QP5
Chemical Name:
Cyclohexanol, 4-(6,8-dibromo-1,4-dihydro-3(2H)-quinazolinyl)-, hydrochloride (1:1), trans-
CAS Number:
15942-08-2
Molecular Formula:
C14H19Br2ClN2O
Molecular Weight:
426.5745
MDL Number:
MFCD26967902
IUPAC Name:
4-(6,8-dibromo-2,4-dihydro-1H-quinazolin-3-yl)cyclohexan-1-ol;hydrochloride
InChI:
InChI=1S/C14H18Br2N2O.ClH/c15-10-5-9-7-18(8-17-14(9)13(16)6-10)11-1-3-12(19)4-2-11;/h5-6,11-12,17,19H,1-4,7-8H2;1H
InChI Key:
ICLHRFYBPXBCPE-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)N1CNc2c(C1)cc(cc2Br)Br.Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.953g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
426.577g/mol
Monoisotopic Mass:
423.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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