Home Halogens 3-(5-bromo-1H-indol-3-yl)-2-acetamidopropanoic acid

3-(5-bromo-1H-indol-3-yl)-2-acetamidopropanoic acid

CAS No.:
75816-15-8
Catalog Number:
AG01AKSQ
Molecular Formula:
C13H13BrN2O3
Molecular Weight:
325.1579
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Product Description
Catalog Number:
AG01AKSQ
Chemical Name:
3-(5-bromo-1H-indol-3-yl)-2-acetamidopropanoic acid
CAS Number:
75816-15-8
Molecular Formula:
C13H13BrN2O3
Molecular Weight:
325.1579
MDL Number:
MFCD09756739
IUPAC Name:
2-acetamido-3-(5-bromo-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13BrN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-3-2-9(14)5-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)
InChI Key:
IMYCFTBQVUCEKW-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)Cc1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.011g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
325.162g/mol
Monoisotopic Mass:
324.011g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties