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Home > Bromides > 1227270-87-2
1227270-87-2 | 1H-Indole-4-carboxylic acid, 3-(acetyloxy)-6-bromo-, methyl ester
CAS No: 1227270-87-2 Catalog No: AG000J6U MDL No:
Product Description
Catalog Number:
AG000J6U
Chemical Name:
1H-Indole-4-carboxylic acid, 3-(acetyloxy)-6-bromo-, methyl ester
CAS Number:
1227270-87-2
Molecular Formula:
C12H10BrNO4
Molecular Weight:
312.1161
IUPAC Name:
methyl 3-acetyloxy-6-bromo-1H-indole-4-carboxylate
InChI:
InChI=1S/C12H10BrNO4/c1-6(15)18-10-5-14-9-4-7(13)3-8(11(9)10)12(16)17-2/h3-5,14H,1-2H3
InChI Key:
MGFQINSPINWINM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1c(c[nH]2)OC(=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.119g/mol
Monoisotopic Mass:
310.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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