Home Other Building Blocks 2'-BROMO-4'-CYANOACETANILIDE

2'-BROMO-4'-CYANOACETANILIDE

CAS No.:
656834-86-5
Catalog Number:
AG00FLSG
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG00FLSG
Chemical Name:
2'-BROMO-4'-CYANOACETANILIDE
CAS Number:
656834-86-5
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD03094675
IUPAC Name:
N-(2-bromo-4-cyanophenyl)acetamide
InChI:
InChI=1S/C9H7BrN2O/c1-6(13)12-9-3-2-7(5-11)4-8(9)10/h2-4H,1H3,(H,12,13)
InChI Key:
VLAXAYVYYHHRBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)NC(=O)C
Properties
Complexity:
245  
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:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties