Home Halogens 2-[2-(6-bromo-1H-indol-1-yl)acetamido]acetic acid

2-[2-(6-bromo-1H-indol-1-yl)acetamido]acetic acid

CAS No.:
1081143-33-0
Catalog Number:
AG01B53M
Molecular Formula:
C12H11BrN2O3
Molecular Weight:
311.1313
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Product Description
Catalog Number:
AG01B53M
Chemical Name:
2-[2-(6-bromo-1H-indol-1-yl)acetamido]acetic acid
CAS Number:
1081143-33-0
Molecular Formula:
C12H11BrN2O3
Molecular Weight:
311.1313
MDL Number:
MFCD12206542
IUPAC Name:
2-[[2-(6-bromoindol-1-yl)acetyl]amino]acetic acid
InChI:
InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)
InChI Key:
CWLHYPMSORHOPU-UHFFFAOYSA-N
SMILES:
O=C(Cn1ccc2c1cc(Br)cc2)NCC(=O)O
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.995g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.135g/mol
Monoisotopic Mass:
309.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties