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Home > Bromides > 1392803-44-9
1392803-44-9 | 1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-3,3-dimethyl-
CAS No: 1392803-44-9 Catalog No: AG001ANH MDL No:MFCD23106156
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
MDL Number:
MFCD23106156
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
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