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477710-17-1 | (E)-N-(2-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethanecarbohydrazonoyl cyanide
CAS No: 477710-17-1 Catalog No: AG00IO14 MDL No:MFCD02102387
Product Description
Catalog Number:
AG00IO14
Chemical Name:
(E)-N-(2-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethanecarbohydrazonoyl cyanide
CAS Number:
477710-17-1
Molecular Formula:
C14H12BrN5O
Molecular Weight:
346.1820
MDL Number:
MFCD02102387
IUPAC Name:
(1E)-N-(2-bromoanilino)-2-(3,5-dimethylpyrazol-1-yl)-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C14H12BrN5O/c1-9-7-10(2)20(19-9)14(21)13(8-16)18-17-12-6-4-3-5-11(12)15/h3-7,17H,1-2H3/b18-13+
InChI Key:
MOSLIBQYRZZDES-QGOAFFKASA-N
SMILES:
N#C/C(=N\Nc1ccccc1Br)/C(=O)n1nc(cc1C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
345.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.188g/mol
Monoisotopic Mass:
345.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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