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114857-82-8 | Benzo[h]quinazolin-2(1H)-one, 4-(4-chlorophenyl)-3,4,5,6-tetrahydro-
CAS No: 114857-82-8 Catalog No: AG000FC5 MDL No:
Product Description
Catalog Number:
AG000FC5
Chemical Name:
Benzo[h]quinazolin-2(1H)-one, 4-(4-chlorophenyl)-3,4,5,6-tetrahydro-
CAS Number:
114857-82-8
Molecular Formula:
C18H15ClN2O
Molecular Weight:
310.7775
IUPAC Name:
4-(4-chlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
InChI:
InChI=1S/C18H15ClN2O/c19-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)21-18(22)20-16/h1-6,8-9,16H,7,10H2,(H2,20,21,22)
InChI Key:
TVJDKKRUHAPWQB-UHFFFAOYSA-N
SMILES:
O=C1NC(c2ccc(cc2)Cl)C2=C(N1)c1ccccc1CC2
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.781g/mol
Monoisotopic Mass:
310.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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