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1000571-82-3 | 2-(4-Bromophenyl)-5-(4-chlorophenyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
CAS No: 1000571-82-3 Catalog No: AG01F4RX MDL No:
Product Description
Catalog Number:
AG01F4RX
Chemical Name:
2-(4-Bromophenyl)-5-(4-chlorophenyl)-1,2-dihydro-3H-1,2,4-triazol-3-one
CAS Number:
1000571-82-3
Molecular Formula:
C14H9BrClN3O
Molecular Weight:
350.5978
IUPAC Name:
2-(4-bromophenyl)-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-one
InChI:
InChI=1S/C14H9BrClN3O/c15-10-3-7-12(8-4-10)19-14(20)17-13(18-19)9-1-5-11(16)6-2-9/h1-8H,(H,17,18,20)
InChI Key:
CYRAFBSDPTYNLY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1[nH]c(=O)n(n1)c1ccc(cc1)Br
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.962g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.6g/mol
Monoisotopic Mass:
348.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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