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Home > Bromides > 1788041-64-4
1788041-64-4 | 1H-Indole-6-carboxylic acid, 5-bromo-2,3-dihydro-, methyl ester
CAS No: 1788041-64-4 Catalog No: AG0026C8 MDL No:MFCD28501554
Product Description
Catalog Number:
AG0026C8
Chemical Name:
1H-Indole-6-carboxylic acid, 5-bromo-2,3-dihydro-, methyl ester
CAS Number:
1788041-64-4
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD28501554
IUPAC Name:
methyl 5-bromo-2,3-dihydro-1H-indole-6-carboxylate
InChI:
InChI=1S/C10H10BrNO2/c1-14-10(13)7-5-9-6(2-3-12-9)4-8(7)11/h4-5,12H,2-3H2,1H3
InChI Key:
FLMKDSGWXSOCJZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2NCCc2cc1Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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