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129166-25-2 | 2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-
CAS No: 129166-25-2 Catalog No: AG000YXS MDL No:
Product Description
Catalog Number:
AG000YXS
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-
CAS Number:
129166-25-2
Molecular Formula:
C16H12BrClN2O2
Molecular Weight:
379.6357
IUPAC Name:
7-bromo-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C16H12BrClN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
InChI Key:
XJBIVRQAGCFPOL-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.977g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.638g/mol
Monoisotopic Mass:
377.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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