Home Halogens 4-bromo-N-(cyanomethyl)benzamide

4-bromo-N-(cyanomethyl)benzamide

CAS No.:
99208-44-3
Catalog Number:
AG01AB53
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG01AB53
Chemical Name:
4-bromo-N-(cyanomethyl)benzamide
CAS Number:
99208-44-3
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD01212028
IUPAC Name:
4-bromo-N-(cyanomethyl)benzamide
InChI:
InChI=1S/C9H7BrN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,6H2,(H,12,13)
InChI Key:
ZGOVNDRJVNAETI-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)c1ccc(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:
1.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties