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Home > Bromides > 1245933-87-2
1245933-87-2 | 1H-Indole-3-carboxylic acid, 5-bromo-2-methyl-, ethyl ester
CAS No: 1245933-87-2 Catalog No: AG000MFO MDL No:MFCD18711563
Product Description
Catalog Number:
AG000MFO
Chemical Name:
1H-Indole-3-carboxylic acid, 5-bromo-2-methyl-, ethyl ester
CAS Number:
1245933-87-2
Molecular Formula:
C12H12BrNO2
Molecular Weight:
282.1332
MDL Number:
MFCD18711563
IUPAC Name:
ethyl 5-bromo-2-methyl-1H-indole-3-carboxylate
InChI:
InChI=1S/C12H12BrNO2/c1-3-16-12(15)11-7(2)14-10-5-4-8(13)6-9(10)11/h4-6,14H,3H2,1-2H3
InChI Key:
SYFCLQGHXLTDOC-UHFFFAOYSA-N
SMILES:
Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2)Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.005g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.137g/mol
Monoisotopic Mass:
281.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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