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116541-99-2 | Arsonic acid, [2-[(1-benzoyl-2-oxopropylidene)hydrazino]phenyl]- (9CI)
CAS No: 116541-99-2 Catalog No: AG000CQW MDL No:
Product Description
Catalog Number:
AG000CQW
Chemical Name:
Arsonic acid, [2-[(1-benzoyl-2-oxopropylidene)hydrazino]phenyl]- (9CI)
CAS Number:
116541-99-2
Molecular Formula:
C16H15AsN2O5
Molecular Weight:
390.2223
IUPAC Name:
[2-[(1-hydroxy-3-oxo-1-phenylbut-1-en-2-yl)diazenyl]phenyl]arsonic acid
InChI:
InChI=1S/C16H15AsN2O5/c1-11(20)15(16(21)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(22,23)24/h2-10,21H,1H3,(H2,22,23,24)
InChI Key:
QHQSKBNUDZHDMJ-UHFFFAOYSA-N
SMILES:
CC(=O)C(=NNc1ccccc1[As](=O)(O)O)C(=O)c1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.02g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
390.227g/mol
Monoisotopic Mass:
390.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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