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24522-26-7 | Acetamide, N-(4-bromophenyl)-2-cyano-
CAS No: 24522-26-7 Catalog No: AG002OEM MDL No:MFCD00121369
Product Description
Catalog Number:
AG002OEM
Chemical Name:
Acetamide, N-(4-bromophenyl)-2-cyano-
CAS Number:
24522-26-7
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD00121369
IUPAC Name:
N-(4-bromophenyl)-2-cyanoacetamide
InChI:
InChI=1S/C9H7BrN2O/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5H2,(H,12,13)
InChI Key:
JRUFTJOJESSNQC-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(cc1)Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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