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Home Halogens Glycine,N-(3-bromobenzoyl)-

Glycine,N-(3-bromobenzoyl)-

CAS No.:
57728-60-6
Catalog Number:
AG00EVUT
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
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Product Description
Catalog Number:
AG00EVUT
Chemical Name:
Glycine,N-(3-bromobenzoyl)-
CAS Number:
57728-60-6
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD00460118
IUPAC Name:
2-[(3-bromobenzoyl)amino]acetic acid
InChI:
InChI=1S/C9H8BrNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChI Key:
SPMZGXLKQBBVKH-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cccc(c1)Br
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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