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94355-82-5 | 5-BROMO-2-HYDROXYBENZALDEHYDE 9-ACRIDINYLHYDRAZONE
CAS No: 94355-82-5 Catalog No: AG005Z0X MDL No:
Product Description
Catalog Number:
AG005Z0X
Chemical Name:
5-BROMO-2-HYDROXYBENZALDEHYDE 9-ACRIDINYLHYDRAZONE
CAS Number:
94355-82-5
Molecular Formula:
C20H14BrN3O
Molecular Weight:
392.2487
IUPAC Name:
2-[(E)-(acridin-9-ylhydrazinylidene)methyl]-4-bromophenol
InChI:
InChI=1S/C20H14BrN3O/c21-14-9-10-19(25)13(11-14)12-22-24-20-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)20/h1-12,25H,(H,23,24)/b22-12+
InChI Key:
KMTIUJKVSBVZEG-WSDLNYQXSA-N
SMILES:
Brc1ccc(c(c1)C=NNc1c2ccccc2nc2c1cccc2)O
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
391.032g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.256g/mol
Monoisotopic Mass:
391.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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