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128593-40-8 | 1H-Indole-2-carboxylic acid, 6-bromo-5-methoxy-, ethyl ester
CAS No: 128593-40-8 Catalog No: AG000Y7C MDL No:MFCD20483268
Product Description
Catalog Number:
AG000Y7C
Chemical Name:
1H-Indole-2-carboxylic acid, 6-bromo-5-methoxy-, ethyl ester
CAS Number:
128593-40-8
Molecular Formula:
C12H12BrNO3
Molecular Weight:
298.1326
MDL Number:
MFCD20483268
IUPAC Name:
ethyl 6-bromo-5-methoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H12BrNO3/c1-3-17-12(15)10-4-7-5-11(16-2)8(13)6-9(7)14-10/h4-6,14H,3H2,1-2H3
InChI Key:
NXCJORQJZBIJRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1)cc(c(c2)Br)OC
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.136g/mol
Monoisotopic Mass:
297g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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