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N1-(2-CHLOROPHENYL)-2-BROMOACETAMIDE

CAS No.:
5439-11-2
Catalog Number:
AG00DA2C
Molecular Formula:
C8H7BrClNO
Molecular Weight:
248.5043
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Product Description
Catalog Number:
AG00DA2C
Chemical Name:
N1-(2-CHLOROPHENYL)-2-BROMOACETAMIDE
CAS Number:
5439-11-2
Molecular Formula:
C8H7BrClNO
Molecular Weight:
248.5043
MDL Number:
MFCD00173815
IUPAC Name:
2-bromo-N-(2-chlorophenyl)acetamide
InChI:
InChI=1S/C8H7BrClNO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
InChI Key:
WIOJXHICOOQVAB-UHFFFAOYSA-N
SMILES:
BrCC(=O)Nc1ccccc1Cl
NSC Number:
15060
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.94g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.504g/mol
Monoisotopic Mass:
246.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
2-Bromo-N-(2-chloro-phen-yl)acetamide. Acta crystallographica. Section E, Structure reports online 20090801
Properties