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114312-94-6 | Benzamide, 3-bromo-N-[cyano[(propylideneamino)oxy]methyl]-
CAS No: 114312-94-6 Catalog No: AG000B20 MDL No:
Product Description
Catalog Number:
AG000B20
Chemical Name:
Benzamide, 3-bromo-N-[cyano[(propylideneamino)oxy]methyl]-
CAS Number:
114312-94-6
Molecular Formula:
C12H12BrN3O2
Molecular Weight:
310.1466
IUPAC Name:
3-bromo-N-[cyano-(propylideneamino)oxymethyl]benzamide
InChI:
InChI=1S/C12H12BrN3O2/c1-2-6-15-18-11(8-14)16-12(17)9-4-3-5-10(13)7-9/h3-7,11H,2H2,1H3,(H,16,17)
InChI Key:
XJQREDYTMQAXMJ-UHFFFAOYSA-N
SMILES:
CCC=NOC(NC(=O)c1cccc(c1)Br)C#N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.151g/mol
Monoisotopic Mass:
309.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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