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Home > Bromides > 1818847-70-9
1818847-70-9 | 1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-1-methyl-2-oxo-, methyl ester
CAS No: 1818847-70-9 Catalog No: AG00236X MDL No:MFCD29060180
Product Description
Catalog Number:
AG00236X
Chemical Name:
1H-Indole-4-carboxylic acid, 6-bromo-2,3-dihydro-1-methyl-2-oxo-, methyl ester
CAS Number:
1818847-70-9
Molecular Formula:
C11H10BrNO3
Molecular Weight:
284.1060
MDL Number:
MFCD29060180
IUPAC Name:
methyl 6-bromo-1-methyl-2-oxo-3H-indole-4-carboxylate
InChI:
InChI=1S/C11H10BrNO3/c1-13-9-4-6(12)3-8(11(15)16-2)7(9)5-10(13)14/h3-4H,5H2,1-2H3
InChI Key:
BYFDSFCWFJNDJL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1CC(=O)N2C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.109g/mol
Monoisotopic Mass:
282.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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