Home Halogens 1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-3,3-dimethyl-

1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-3,3-dimethyl-

CAS No.:
1392803-44-9
Catalog Number:
AG001ANH
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
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Product Description
Catalog Number:
AG001ANH
Chemical Name:
1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-3,3-dimethyl-
CAS Number:
1392803-44-9
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
IUPAC Name:
6-bromo-3,3-dimethyl-1,2-dihydroindole-4-carboxylic acid
InChI:
InChI=1S/C11H12BrNO2/c1-11(2)5-13-8-4-6(12)3-7(9(8)11)10(14)15/h3-4,13H,5H2,1-2H3,(H,14,15)
InChI Key:
WNBZIRFFANRSJD-UHFFFAOYSA-N
SMILES:
Brc1cc2NCC(c2c(c1)C(=O)O)(C)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties