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287474-40-2 | Acetamide, 2-amino-N-(4-bromophenyl)-2-cyano-
CAS No: 287474-40-2 Catalog No: AG002WBV MDL No:
Product Description
Catalog Number:
AG002WBV
Chemical Name:
Acetamide, 2-amino-N-(4-bromophenyl)-2-cyano-
CAS Number:
287474-40-2
Molecular Formula:
C9H8BrN3O
Molecular Weight:
254.0833
IUPAC Name:
2-amino-N-(4-bromophenyl)-2-cyanoacetamide
InChI:
InChI=1S/C9H8BrN3O/c10-6-1-3-7(4-2-6)13-9(14)8(12)5-11/h1-4,8H,12H2,(H,13,14)
InChI Key:
SUAABKUMYHBBEU-UHFFFAOYSA-N
SMILES:
NC(C(=O)Nc1ccc(cc1)Br)C#N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.087g/mol
Monoisotopic Mass:
252.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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