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919973-69-6 | 8-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CAS No: 919973-69-6 Catalog No: AG01EQDZ MDL No:
Product Description
Catalog Number:
AG01EQDZ
Chemical Name:
8-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CAS Number:
919973-69-6
Molecular Formula:
C16H10BrClN4
Molecular Weight:
373.6344
IUPAC Name:
8-bromo-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
InChI:
InChI=1S/C16H10BrClN4/c17-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)18)19-8-15-21-20-9-22(14)15/h1-7,9H,8H2
InChI Key:
HGHGSOBPNPCMHF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(=NCc1n2cnn1)c1ccccc1Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.978g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.638g/mol
Monoisotopic Mass:
371.978g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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